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261783-90-8 | Benzonitrile, 4-(3-chlorobenzoyl)-
CAS No: 261783-90-8 Catalog No: AG002S3L MDL No:MFCD22205832
Product Description
Catalog Number:
AG002S3L
Chemical Name:
Benzonitrile, 4-(3-chlorobenzoyl)-
CAS Number:
261783-90-8
Molecular Formula:
C14H8ClNO
Molecular Weight:
241.6724
MDL Number:
MFCD22205832
IUPAC Name:
4-(3-chlorobenzoyl)benzonitrile
InChI:
InChI=1S/C14H8ClNO/c15-13-3-1-2-12(8-13)14(17)11-6-4-10(9-16)5-7-11/h1-8H
InChI Key:
ZBPCMVUHBDEGPG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1cccc(c1)Cl
Properties
Complexity:
324
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.674g/mol
Monoisotopic Mass:
241.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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