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1365272-76-9 | [1,1'-Biphenyl]-3-carboxamide, 2'-cyano-N-ethyl-
CAS No: 1365272-76-9 Catalog No: AG00120Y MDL No:MFCD21609622
Product Description
Catalog Number:
AG00120Y
Chemical Name:
[1,1'-Biphenyl]-3-carboxamide, 2'-cyano-N-ethyl-
CAS Number:
1365272-76-9
Molecular Formula:
C16H14N2O
Molecular Weight:
250.2952
MDL Number:
MFCD21609622
IUPAC Name:
3-(2-cyanophenyl)-N-ethylbenzamide
InChI:
InChI=1S/C16H14N2O/c1-2-18-16(19)13-8-5-7-12(10-13)15-9-4-3-6-14(15)11-17/h3-10H,2H2,1H3,(H,18,19)
InChI Key:
DDRYXNJIFJUPQE-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cccc(c1)c1ccccc1C#N
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.301g/mol
Monoisotopic Mass:
250.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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