3,5-Dichloro-2-methylbenzaldehyde

CAT: 0127-OR1097127-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1097127-01Size:250 mg

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CAS Number

1629252-65-8

MDL Number

MFCD28786753

Purity

95%

Smiles

C1 (cc (cc (c1C) C=O) Cl) Cl

Chemical Information

3,5-Dichloro-2-methylbenzaldehyde

CAS Number	1629252-65-8
PubChem CID	59916923
IUPAC Name	3,5-dichloro-2-methylbenzaldehyde
Molecular Formula	C8H6Cl2O
Molecular Weight	189.04
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

CC1=C(C=C(C=C1Cl)Cl)C=O

InChI

InChI=1S/C8H6Cl2O/c1-5-6(4-11)2-7(9)3-8(5)10/h2-4H,1H3

InChIKey

MYFIFWHYSXQMFS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1629252-65-8

CID: 59916923

Formula: C8H6Cl2O

MW: 189.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	189.04
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	187.9795702
Monoisotopic Mass	187.9795702
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
OR1085772	2,3-Dichloro-5-methylbenzaldehyde
OR1080684	2,5-Dichloro-3-methylbenzaldehyde
OR1085405-01	3,4-Dichloro-5-methylbenzaldehyde
OR1082676	3,5-Dichloro-4-methylbenzaldehyde
OR1094291	2,5-Dichloro-4-methylbenzaldehyde
OR85970-01	4,5-Dichloro-2-methylbenzaldehyde
OR1093406-01	3,5-dichloro-4-methoxy-2-methylbenzaldehyde
OR1090226-01	5-Bromo-2,4-dichloro-3-methylbenzaldehyde
PC1016492	4,5-Dichloro-2-fluoro-3-methylbenzaldehyde
OR1099802	2,4-Dichloro-3-methylbenzaldehyde

Catalog	Name
NCA52518-01	2,4-Dichloro-3-methylbenzaldehyde
FAA70186	2,3-Dimethoxy-5-methylbenzaldehyde
IBA17254	3-Bromo-2-hydroxy-5-methylbenzaldehyde
HAC66503	3-bromo-2-fluoro-5-methylbenzaldehyde
PDA93853-01	3-Chloro-2-hydroxy-5-methylbenzaldehyde
269493-01	5-Chloro-2-hydroxy-3-methylbenzaldehyde
abx185951-01	5-Bromo-2-Fluoro-3-Methylbenzaldehyde
sc-506561	3- (Chloromethyl) -2-hydroxy-5-methylbenzaldehyde
HHC68162-01	5-Bromo-2- (difluoromethoxy) -3-methylbenzaldehyde
IBA17256	5-bromo-2-hydroxy-3-methylbenzaldehyde