4- (2-phenylacetyl) benzaldehyde

CAT: 0127-OR1101270-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1101270-01Size:250 mg

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CAS Number

345958-23-8

Purity

95%

Smiles

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

Chemical Information

4-(2-Phenylacetyl)benzaldehyde

CAS Number	345958-23-8
PubChem CID	59451726
IUPAC Name	4-(2-phenylacetyl)benzaldehyde
Molecular Formula	C15H12O2
Molecular Weight	224.25
XLogP	2.6
Topological Polar Surface Area	34.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	258

SMILES

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

InChI

InChI=1S/C15H12O2/c16-11-13-6-8-14(9-7-13)15(17)10-12-4-2-1-3-5-12/h1-9,11H,10H2

InChIKey

MWPHJHDXMYKQRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 345958-23-8

CID: 59451726

Formula: C15H12O2

MW: 224.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.25
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	224.083729621
Monoisotopic Mass	224.083729621
Topological Polar Surface Area	34.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	258
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
OR1051556	Ethyl 4- (2-phenylacetyl) benzoate
OR1101344-01	4-[ (2-Phenylacetyl) amino]phenylboronic acid
OR450129-01	2-Phenylacetyl isocyanate
OR1063925-01	4- (2,4-Dichlorophenoxy) benzaldehyde
OR1098676-01	4- (2-Pyridinylthio) benzaldehyde
PC1019967-01	4- (2-fluoroethoxy) benzaldehyde
OR1101289-01	4- (2-Chloroacetyl) benzaldehyde
OR922883-01	4- (2-Hydroxyethoxy) benzaldehyde
PC10172-01	2- (4-Fluorophenoxy) benzaldehyde
OR322768	2- (4-Methoxyphenylthio) benzaldehyde

Catalog	Name
1031160 500	2-Chloro Benzaldehyde (o-Chloro benzaldehyde)
GEA02070-01	2- (Methoxymethyl) benzaldehyde
UCA90600-01	2- (Ethylamino) benzaldehyde
418414-01	2-Iodo-benzaldehyde
414284-01	2- (Methoxymethoxy) -benzaldehyde
288153-01	2- (Phenylthio) Benzaldehyde
RG-T180968-01	2- (Trifluoromethyl) Benzaldehyde
sc-223277	2- (Trifluoromethoxy) benzaldehyde
sc-256030A	2- (Phenoxymethyl) benzaldehyde
SCA69865-01	2- (Cyclohexyloxy) benzaldehyde