Methyl 3-chloro-2-methylbenzoate

CAT: 0926-ZDA58684-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-ZDA58684-01Size:0.25 g

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CAS Number

99586-84-2

MDL Number

MFCD00230148

Smiles

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

Molecular Formula

C9H9ClO2

Molecular Weight

184.62 g/mol

Controlled

Chemical Information

Methyl 3-chloro-2-methylbenzoate

CAS Number	99586-84-2
PubChem CID	5077673
IUPAC Name	methyl 3-chloro-2-methylbenzoate
Molecular Formula	C9H9ClO2
Molecular Weight	184.62
XLogP	2.8
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	170

SMILES

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

InChI

InChI=1S/C9H9ClO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,1-2H3

InChIKey

LCWKTHHPYGUFHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99586-84-2

CID: 5077673

Formula: C9H9ClO2

MW: 184.62

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	184.62
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	184.0291072
Monoisotopic Mass	184.0291072
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	170
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
VLB75993	Methyl 2-chloro-3-methylbenzoate
FM64251-01	Methyl 4-chloro-3-methylbenzoate
ZDA58513	Methyl 5-chloro-2-methylbenzoate
SSC47705-01	Methyl 3-chloro-5-iodo-2-methylbenzoate
QHA36758-01	Methyl 3-amino-4-chloro-2-methylbenzoate
XKC77835-01	Methyl 5-bromo-3-chloro-2-methylbenzoate
VEA10004-01	Methyl 2-chloro-4-methanesulfonyl-3-methylbenzoate
BFC76013-01	Methyl 6-chloro-3-fluoro-2-methylbenzoate
EFC31433-01	Methyl 4-amino-3-chloro-2-methylbenzoate
FPA39011-01	Methyl 3-amino-6-chloro-2-methylbenzoate

Catalog	Name
sc-481499	Methyl 2-chloro-3-methylbenzoate
455214-01	Methyl 3-chloro-4-methylbenzoate
455488-01	Methyl 4-chloro-3-methylbenzoate
OR90020	Methyl 3-chloro-5-methylbenzoate
455697-01	Methyl 5-Chloro-2-methylbenzoate
OR907520-01	Methyl 2-chloro-4-methylbenzoate
OR930591-01	Methyl 2-chloro-5-methylbenzoate
PC1008002-01	Methyl 2-chloro-3-fluoro-6-methylbenzoate
PC1003951-01	Methyl 2-chloro-5-fluoro-3-methylbenzoate
OR1086772-01	Methyl 4-chloro-2-methoxy-3-methylbenzoate