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141990-91-2 | Benzamide, N-(3-cyanophenyl)-
CAS No: 141990-91-2 Catalog No: AG001HHL MDL No:MFCD00451474
Product Description
Catalog Number:
AG001HHL
Chemical Name:
Benzamide, N-(3-cyanophenyl)-
CAS Number:
141990-91-2
Molecular Formula:
C14H10N2O
Molecular Weight:
222.2420
MDL Number:
MFCD00451474
IUPAC Name:
N-(3-cyanophenyl)benzamide
InChI:
InChI=1S/C14H10N2O/c15-10-11-5-4-8-13(9-11)16-14(17)12-6-2-1-3-7-12/h1-9H,(H,16,17)
InChI Key:
UCPDMPHZMMJOJJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC(=O)c1ccccc1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.079g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.247g/mol
Monoisotopic Mass:
222.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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