Home Nitriles 4-broMo-1H-indazole-3-carbonitrile

4-broMo-1H-indazole-3-carbonitrile

CAS No.:
1167055-55-1
Catalog Number:
AG000D0W
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
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Product Description
Catalog Number:
AG000D0W
Chemical Name:
4-broMo-1H-indazole-3-carbonitrile
CAS Number:
1167055-55-1
Molecular Formula:
C8H4BrN3
Molecular Weight:
222.0415
MDL Number:
MFCD11845593
IUPAC Name:
4-bromo-1H-indazole-3-carbonitrile
InChI:
InChI=1S/C8H4BrN3/c9-5-2-1-3-6-8(5)7(4-10)12-11-6/h1-3H,(H,11,12)
InChI Key:
MWSBWMOOELBNBT-UHFFFAOYSA-N
SMILES:
N#Cc1n[nH]c2c1c(Br)ccc2
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  
Properties