AG003B28

42872-30-0 | 2-(3-Benzoylphenyl)Propionitrile

AG003B28

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CAS Number	42872-30-0
Catalog Number	AG003B28(AGN-PC-0RQXQ0)
Chemical Name	2-(3-Benzoylphenyl)Propionitrile
EC Number	255-982-5
IUPAC Name	2-(3-benzoylphenyl)propanenitrile
InChI	InChI=1S/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3
InChI Key	RGYOCHMZSLUCNP-UHFFFAOYSA-N
MDL Number	MFCD00044435
Molecular Formula	C16H13NO
Molecular Weight	235.2805
SMILES	CC(C1=CC=CC(C(C2=CC=CC=C2)=O)=C1)C#N
Synonyms	2-(3-Benzoylphenyl)propionitrile, 42872-30-0, 2-(3-Benzoylphenyl)propanenitrile, 2-(m-Benzoylphenyl)propionitrile, BENZENEACETONITRILE, 3-BENZOYL-alpha-METHYL-, 24336 R.P., EINECS 255-982-5, BRN 2844731, 3-(1-Cyanoethyl)benzophenone, RGYOCHMZSLUCNP-UHFFFAOYSA-N, W-106256, Ketprofen nitrile, Ketoprofen Nitrile, zlchem 505, ACMC-1AQ1C, EC 255-982-5, KSC496E1H, SCHEMBL687542, AC1L21I7, 2-(3-Benzoylphenyl)propanitrile, CTK3J6213, RGYOCHMZSLUCNP-UHFFFAOYSA-, ZLC0370, alpha-(m-benzoylphenyl)propionitrile, KS-000010GD, 2-(3-Benzoylphenyl)propanenitrile #, 2-[3-(benzoyl)phenyl]propanenitrile, alpha-(m-benzoylphenyl)-propionitrile, ANW-29883, MFCD00044435, AKOS015895867, CB-1039, 3-Benzoyl-alpha-methylphenylacetonitrile, ACM42872300, 2-(3-Benzoylphenyl)propionitrile, 95%, (2RS)-2-(3-Benzoylphenyl)propanenitrile, AC-16248, AK112300, AS-15423, CC-05592, LS-29023, P278, 2-[3-(phenylcarbonyl)phenyl]propanenitrile, 24336 R.P, AB0016914, AB1004586, AX8008668, DB-050981, RT-002907, TL8007037, B2939, FT-0639810, FT-0654153, ST24039286, Benzeneacetonitrile, 3-benzoyl-.alpha.-methyl-, M-1767, A826041, C-13892, I06-1308, InChI=1/C16H13NO/c1-12(11-17)14-8-5-9-15(10-14)16(18)13-6-3-2-4-7-13/h2-10,12H,1H3, null, Ketonitrile, 2- PROPIONITRILE, UNII-T1XT2245YV, C16H13NO, T1XT2245YV, C16-H13-N-O, CID39325, 3-Benzoyl-?-methylbenzeneacetonitrile, ACN-001484, CS-T-05276, 2-(3-Benzoylphenyl)propionitrile, 98% - 1G 1g,

Complexity	334
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.286g/mol
Monoisotopic Mass	235.1g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number