AG001MHO

1503-49-7 | Benzonitrile, 4-benzoyl-

AG001MHO

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CAS Number	1503-49-7
Catalog Number	AG001MHO(AGN-PC-0JLBA5)
Chemical Name	Benzonitrile, 4-benzoyl-
EC Number	216-126-6
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
MDL Number	MFCD00016382
Molecular Formula	C14H9NO
Molecular Weight	207.2274
SMILES	O=C(C1=CC=CC=C1)C2=CC=C(C#N)C=C2
Synonyms	4-Benzoylbenzonitrile, 4-Cyanobenzophenone, 1503-49-7, Benzonitrile, 4-benzoyl-, 4-benzoyl-benzonitrile, Benzonitrile,4-benzoyl-, YSZWJJANSNFQMM-UHFFFAOYSA-N, MFCD00016382, EINECS 216-126-6, 4-Cyano-benzophenon, 4-Cyano-benzophenone, ACMC-20amk8, 4-Benzoylbenzonitrile #, AC1Q4RQZ, AC1Q5CVX, AC1Q5CVY, Benzophenone-4-carbonitrile, 4-Cyanobenzophenone, 97%, AC1L2KT1, SCHEMBL3215328, CTK4C6609, KS-00002AXF, DTXSID40164514, ZINC157115, 4-(phenylcarbonyl)benzenecarbonitrile, AKOS015916254, MCULE-9191324141, RS-1016, VZ28901, AK308626, CC-19003, OR310642, ZB006559, DB-043050, TC-168911, FT-0618299, ST50307677, C-10443, J-008689, I14-50571, InChI=1/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9, C14-H9-N-O, CID73921, AR-1G1059, ZINC00157115, 15253-37-9,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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