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898747-00-7 | 6-Bromo-1H-indazole-4-carbonitrile
CAS No: 898747-00-7 Catalog No: AG00H01X MDL No:MFCD08458976
Product Description
Catalog Number:
AG00H01X
Chemical Name:
6-Bromo-1H-indazole-4-carbonitrile
CAS Number:
898747-00-7
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD08458976
IUPAC Name:
6-bromo-1H-indazole-4-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-6-1-5(3-10)7-4-11-12-8(7)2-6/h1-2,4H,(H,11,12)
InChI Key:
ILGPSFSWRANYDT-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc2c1cn[nH]2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.045g/mol
Monoisotopic Mass:
220.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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