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201227-39-6 | 1H-Indazole-3-carbonitrile, 5-bromo-
CAS No: 201227-39-6 Catalog No: AG002DA7 MDL No:MFCD07371567
Product Description
Catalog Number:
AG002DA7
Chemical Name:
1H-Indazole-3-carbonitrile, 5-bromo-
CAS Number:
201227-39-6
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD07371567
IUPAC Name:
5-bromo-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-5-1-2-7-6(3-5)8(4-10)12-11-7/h1-3H,(H,11,12)
InChI Key:
QIULWQLXNFSZJG-UHFFFAOYSA-N
SMILES:
Brc1cc2c(n[nH]c2cc1)C#N
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:
2.3
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