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Home > Bromides > 1261775-61-4
1261775-61-4 | Benzamide, 3-bromo-5-cyano-
CAS No: 1261775-61-4 Catalog No: AG000S0N MDL No:
Product Description
Catalog Number:
AG000S0N
Chemical Name:
Benzamide, 3-bromo-5-cyano-
CAS Number:
1261775-61-4
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
IUPAC Name:
3-bromo-5-cyanobenzamide
InChI:
InChI=1S/C8H5BrN2O/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H2,11,12)
InChI Key:
MVZRYDWFBXNCIF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)cc(c1)C(=O)N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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