4- (3-Chloropropoxy) benzaldehyde

CAT: 0926-HDA62525-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-HDA62525-01Size:50 mg

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CAS Number

82625-25-0

MDL Number

MFCD00021077

Smiles

C1=CC (=CC=C1C=O) OCCCCl

Molecular Formula

C10H11ClO2

Molecular Weight

198.64 g/mol

Controlled

Chemical Information

4-(3-Chloropropoxy)-benzaldehyde

CAS Number	82625-25-0
PubChem CID	3551479
IUPAC Name	4-(3-chloropropoxy)benzaldehyde
Molecular Formula	C10H11ClO2
Molecular Weight	198.64
XLogP	2.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	142

SMILES

C1=CC(=CC=C1C=O)OCCCCl

InChI

InChI=1S/C10H11ClO2/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5,8H,1,6-7H2

InChIKey

CKGQJZWAOFNWQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82625-25-0

CID: 3551479

Formula: C10H11ClO2

MW: 198.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.64
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	198.0447573
Monoisotopic Mass	198.0447573
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	142
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
BGA71992-01	4- (3-Chloropropoxy) -3-methoxybenzaldehyde
EDA09654-01	1- (3-Chloropropoxy) -4-nitrobenzene
BBA42079-01	((3-Chloropropoxy) methyl) benzene
GHA80791-01	4-Bromo-1- (3-chloropropoxy) -2-fluorobenzene
TAA98609-01	4- (3-Methylbutoxy) benzaldehyde
PMB75829-01	4- (3-Fluorophenoxy) benzaldehyde
FD67192-01	4'- (3,4-Difluorophenoxy) benzaldehyde
IKB23686-01	4- (3-Nitrophenoxy) benzaldehyde
SJB02345-01	4- (3-Bromophenoxy) benzaldehyde
PIA47068	4-Chloro-7- (3-chloropropoxy) -6-methoxyquinoline-3-carbonitrile

Catalog	Name
OR33435-01	4- (3-Chloropropoxy) benzaldehyde
284480-01	3- (Methylthio) benzaldehyde
273796-01	3- (Difluoromethyl) benzaldehyde
MBS3617161-01	3-(Trifluoromethyl)benzaldehyde
sc-260476A	3- (Bromomethyl) benzaldehyde
MBS5772918	Benzaldehyde, 3-fluoro-
OR1093426	3- (cyclohexyloxy) benzaldehyde
OR1088757-01	3- (diphenylamino) benzaldehyde
OR1080004	3- (Cyclohexylmethoxy) benzaldehyde
PC1026762-01	3- (Fluoromethyl) benzaldehyde