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N-Benzyl-3-fluorobenzamide - 97%, high purity , CAS No.671-01-2
Discover N-Benzyl-3-fluorobenzamide by Aladdin Scientific in 97% for only $383.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
N-benzyl-3-fluorobenzamide | 671-01-2 | C14H12FNO | CBMicro_048145 | DTXSID30356840 | MFCD00439111 | STK414381 | AKOS002944292 | SB77121 | BS-23712 | BIM-0048169.P001 | CS-0206041 | AN-652/33947057 | SR-01000200739 | SR-01000200739-1 | Z27749656
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Benzamides
Direct Parent
N-benzylbenzamides
Alternative Parents
3-halobenzoic acids and derivatives Benzoyl derivatives Fluorobenzenes Aryl fluorides Secondary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
N-benzylbenzamide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-benzylbenzamides. These are compounds containing a benzamide moiety that is N-linked to a benzyl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
N-benzyl-3-fluorobenzamide
INCHI
InChI=1S/C14H12FNO/c15-13-8-4-7-12(9-13)14(17)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H,16,17)
InChIKey
LKIBJWJYXBXEEB-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)F
Isomeric SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)F
Molecular Weight
229.2
Reaxy-Rn
2941042
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2941042&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
229.250 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
3
Exact Mass
229.09 Da
Monoisotopic Mass
229.09 Da
Topological Polar Surface Area
29.100 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
251.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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