2-[ (4-Chlorophenyl) methyl]benzaldehyde

CAT: 0926-WCC53925-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-WCC53925-01Size:50 mg

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CAS Number

1321539-25-6

MDL Number

MFCD31666111

Smiles

C1=CC=C (C (=C1) CC2=CC=C (C=C2) Cl) C=O

Molecular Formula

C14H11ClO

Molecular Weight

230.69 g/mol

Controlled

Chemical Information

2-[(4-Chlorophenyl)methyl]benzaldehyde

CAS Number	1321539-25-6
PubChem CID	88783245
IUPAC Name	2-[(4-chlorophenyl)methyl]benzaldehyde
Molecular Formula	C14H11ClO
Molecular Weight	230.69
XLogP	3.9
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	221

SMILES

C1=CC=C(C(=C1)CC2=CC=C(C=C2)Cl)C=O

InChI

InChI=1S/C14H11ClO/c15-14-7-5-11(6-8-14)9-12-3-1-2-4-13(12)10-16/h1-8,10H,9H2

InChIKey

ZVVBWUHNZYTNBH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1321539-25-6

CID: 88783245

Formula: C14H11ClO

MW: 230.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	230.69
XLogP3	3.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	230.0498427
Monoisotopic Mass	230.0498427
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	221
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
LKB76307-01	2-Methyl-4- (trifluoromethoxy) benzaldehyde
NKB73967	2-Methyl-4- (trifluoromethyl) benzaldehyde
JCA23638-01	2-Amino-4-methyl-benzaldehyde
BTA48568	Methyl 4- (2-chlorophenyl) -2,4-dioxobutanoate
MBA54228	Methyl 2- (4-chlorophenyl) -2-oxoacetate
VDA06817-01	4-[ (Methylsulfanyl) methyl]benzaldehyde
HWB72001-01	[ (4-Bromo-2-chlorophenyl) methyl] (methyl) amine
HEA77495	1- (4-chlorophenyl) -3- (2-chlorophenyl) methyl) thiourea
GWB17281-01	4-{Methyl[ (thiophen-2-yl) methyl]amino}benzaldehyde
LRB48981-01	2-Chloro-6-[ (2-chlorophenyl) methoxy]benzaldehyde

Catalog	Name
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OR25197-01	2-[ (4-Chlorophenyl) thio]benzaldehyde
OR1086620-01	4-Chloro-2-[ (4-chlorophenyl) methoxy]benzaldehyde
OR77052-01	4- ((Dimethylamino) methyl) benzaldehyde
OR1087591-01	4- ((benzyloxy) methyl) benzaldehyde
OR1056987-01	4- ((Diethylamino) methyl) benzaldehyde
OR1091429-01	4- ((4-ethylphenoxy) methyl) benzaldehyde