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1261554-17-9 | Benzamide, 3-chloro-5-cyano-
CAS No: 1261554-17-9 Catalog No: AG000RU5 MDL No:
Product Description
Catalog Number:
AG000RU5
Chemical Name:
Benzamide, 3-chloro-5-cyano-
CAS Number:
1261554-17-9
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
IUPAC Name:
3-chloro-5-cyanobenzamide
InChI:
InChI=1S/C8H5ClN2O/c9-7-2-5(4-10)1-6(3-7)8(11)12/h1-3H,(H2,11,12)
InChI Key:
MSZQEKGSLHFCRJ-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)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:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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