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885278-24-0 | 6-Bromo-1H-indazole-3-carbonitrile
CAS No: 885278-24-0 Catalog No: AG0045FF MDL No:MFCD06659785
Product Description
Catalog Number:
AG0045FF
Chemical Name:
6-Bromo-1H-indazole-3-carbonitrile
CAS Number:
885278-24-0
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD06659785
IUPAC Name:
6-bromo-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-5-1-2-6-7(3-5)11-12-8(6)4-10/h1-3H,(H,11,12)
InChI Key:
BNMHCHQOAQMIBU-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c2c1ccc(c2)Br
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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