Methyl 2,5-dichloro-4-methylbenzoate

CAT: 0127-OR1063811-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1063811-01Size:250 mg

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CAS Number

203573-10-8

MDL Number

MFCD28786820

Purity

98%

Smiles

O=C(OC)C1=CC(Cl)=C(C)C=C1Cl

Chemical Information

Methyl 2,5-dichloro-4-methylbenzoate

CAS Number	203573-10-8
PubChem CID	10220066
IUPAC Name	methyl 2,5-dichloro-4-methylbenzoate
Molecular Formula	C9H8Cl2O2
Molecular Weight	219.06
XLogP	3.4
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	196

SMILES

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

InChI

InChI=1S/C9H8Cl2O2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,1-2H3

InChIKey

GLGKDOSRCSEFNQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 203573-10-8

CID: 10220066

Formula: C9H8Cl2O2

MW: 219.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.06
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	217.9901349
Monoisotopic Mass	217.9901349
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	196
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
OR74201-01	Methyl 3,5-dichloro-4-methylbenzoate
OR1096429	Methyl 2,6-dichloro-4-methylbenzoate
OR1084004-01	Methyl 2,3-dichloro-4-methylbenzoate
PC1016687	Methyl 4,5-dichloro-2-fluoro-3-methylbenzoate
OR1096057-01	Methyl 2,4-dichloro-3-methylbenzoate
OR1085793-01	Ethyl 2,4-dichloro-5-methylbenzoate
OR1099304-01	Methyl 2,6-dichloro-3-methylbenzoate
OR1042373-01	Methyl 4,5-diamino-2-methylbenzoate
PC99686-01	Methyl 4,5-difluoro-2-methylbenzoate
OR1094049-01	Methyl 2,5-dimethoxy-4-methylbenzoate

Catalog	Name
GTR19270864-01	Methyl 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate
HBA26312-01	Methyl 4,5-dihydroxy-2-methylbenzoate
MRB20686-01	Methyl 2-amino-4-fluoro-5-methylbenzoate
EMB21484	Methyl 2-amino-5-fluoro-4-methylbenzoate
PLC05945-01	Methyl 5- (chlorosulfonyl) -2-fluoro-4-methylbenzoate
SMC11984-01	Methyl 5-amino-4-fluoro-2-methylbenzoate
VSC24817-01	Methyl 5-bromo-2-chloro-4-methylbenzoate
AL BF 1331-01	Methyl 5-chloro-2-hydroxy-4-methylbenzoate
ZTA33054	Methyl 5-amino-2-bromo-4-methylbenzoate
LIC70815-01	Methyl 2- (benzyloxy) -5-chloro-4-methylbenzoate