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1503-49-7 | Benzonitrile, 4-benzoyl-
CAS No: 1503-49-7 Catalog No: AG001MHO MDL No:MFCD00016382
Product Description
Catalog Number:
AG001MHO
Chemical Name:
Benzonitrile, 4-benzoyl-
CAS Number:
1503-49-7
Molecular Formula:
C14H9NO
Molecular Weight:
207.2274
MDL Number:
MFCD00016382
IUPAC Name:
4-benzoylbenzonitrile
InChI:
InChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H
InChI Key:
YSZWJJANSNFQMM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccccc1
EC Number:
216-126-6
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.068g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.232g/mol
Monoisotopic Mass:
207.068g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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