AG003F42

468751-38-4 | 2-((Phenylsulfonyl)methyl)benzaldehyde

AG003F42

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CAS Number	468751-38-4
Catalog Number	AG003F42(AGN-PC-0RUOZQ)
Chemical Name	2-((Phenylsulfonyl)methyl)benzaldehyde
IUPAC Name	2-(benzenesulfonylmethyl)benzaldehyde
InChI	InChI=1S/C14H12O3S/c15-10-12-6-4-5-7-13(12)11-18(16,17)14-8-2-1-3-9-14/h1-10H,11H2
InChI Key	KDTVRUZABJBZKA-UHFFFAOYSA-N
MDL Number	MFCD06797157
Molecular Formula	C14H12O3S
Molecular Weight	260.3083
SMILES	O=CC1=CC=CC=C1CS(=O)(C2=CC=CC=C2)=O
Synonyms	2-(Phenylsulfonylmethyl)benzaldehyde, 468751-38-4, 2-((Phenylsulfonyl)methyl)benzaldehyde, 2-(benzenesulfonylmethyl)benzaldehyde, Benzaldehyde,2-[(phenylsulfonyl)methyl]-, ACMC-1ARQ4, 2-Formylbenzyl Phenyl Sulfone, SCHEMBL1199797, CTK4I9619, DTXSID10463081, KS-000016NC, ANW-30472, MFCD06797157, ZINC12956531, AKOS015840650, VZ23321, ACM468751384, CC-06176, DB-019532, TR-017442, CS-0060566, FT-0644708, P1455, A827110, C-16250, 2-[(Phenylsulfonyl)methyl]benzaldehyde, AldrichCPR, I14-106315, CID11345986,

Complexity	363
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	260.051g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	260.307g/mol
Monoisotopic Mass	260.051g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	59.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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