3- (Methylsulfonyl) benzophenone

CAT: 0926-WAA20505-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-WAA20505-01Size:1 g

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CAS Number

21205-05-0

MDL Number

MFCD11545096

Smiles

CS (=O) (=O) C1=CC=CC (=C1) C (=O) C2=CC=CC=C2

Molecular Formula

C14H12O3S

Molecular Weight

260.31 g/mol

Controlled

Chemical Information

3-(Methylsulfonyl)benzophenone

CAS Number	21205-05-0
PubChem CID	43338262
IUPAC Name	(3-methylsulfonylphenyl)-phenylmethanone
Molecular Formula	C14H12O3S
Molecular Weight	260.31
XLogP	2.6
Topological Polar Surface Area	59.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	18
Formal Charge	0
Complexity	388

SMILES

CS(=O)(=O)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H12O3S/c1-18(16,17)13-9-5-8-12(10-13)14(15)11-6-3-2-4-7-11/h2-10H,1H3

InChIKey

OMFWZKUKFTYSPC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21205-05-0

CID: 43338262

Formula: C14H12O3S

MW: 260.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.31
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	260.05071541
Monoisotopic Mass	260.05071541
Topological Polar Surface Area	59.6 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	388
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FB34691-01	Benzophenone
FH24346-01	3- (1-Hydroxyethyl) benzophenone
FB137937-01	Benzophenone-3-carboxylic acid
FB172322-01	Benzophenone oxime
FB10487-01	Benzophenone imine
BAA87766-01	3- (Methylsulfonyl) acetophenone
FJB26750	3- (Methylsulfonyl) benzylaminehydrochloride
LMB48257-01	3- (Methylsulfonyl) phenylacetonitrile
KBA21639	3- (Methylsulfonyl) aniline
CXB28204-01	3- (Methylsulfonyl) propanal

Catalog	Name
CS-O-31144	Benzophenone
TMIJ-0043-01	Benzophenone-d10