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7-Bromo-5-fluoro-1H-indazole - 97%, high purity , CAS No.1100214-35-4
Basic Description
Synonyms
7-Bromo-5-fluoro-1H-indazole | 1100214-35-4 | MFCD21602945 | 1H-Indazole, 7-bromo-5-fluoro- | SCHEMBL2425031 | DTXSID10727079 | VZOXHKFHHCLLPN-UHFFFAOYSA-N | SB13424 | PS-16736 | SY099406 | CS-0050071 | P16158 | EN300-1704121 | A894949
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
Benzenoids Aryl fluorides Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - Aryl bromide - Aryl fluoride - Aryl halide - Benzenoid - Heteroaromatic compound - Azole - Pyrazole - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organobromide - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
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
7-bromo-5-fluoro-1H-indazole
INCHI
InChI=1S/C7H4BrFN2/c8-6-2-5(9)1-4-3-10-11-7(4)6/h1-3H,(H,10,11)
InChIKey
VZOXHKFHHCLLPN-UHFFFAOYSA-N
Smiles
C1=C(C=C(C2=C1C=NN2)Br)F
Isomeric SMILES
C1=C(C=C(C2=C1C=NN2)Br)F
Molecular Weight
215.022
Reaxy-Rn
18934664
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18934664&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
215.020 g/mol
XLogP3
2.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
213.954 Da
Monoisotopic Mass
213.954 Da
Topological Polar Surface Area
28.700 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
155.000
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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