Methyl 2-chloro-4-formylbenzoate

CAT: 0127-OR1044167-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1044167-01Size:100 mg

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CAS Number

908248-02-2

Purity

98%

Smiles

O=C(C1C(C=O)=CC=C(Cl)C=1)OC

Chemical Information

Methyl 2-chloro-4-formylbenzoate

CAS Number	908248-02-2
PubChem CID	57461225
IUPAC Name	methyl 2-chloro-4-formylbenzoate
Molecular Formula	C9H7ClO3
Molecular Weight	198.60
XLogP	2.9
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	205

SMILES

COC(=O)C1=C(C=C(C=C1)C=O)Cl

InChI

InChI=1S/C9H7ClO3/c1-13-9(12)7-3-2-6(5-11)4-8(7)10/h2-5H,1H3

InChIKey

UTMVVAXABVYJEA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 908248-02-2

CID: 57461225

Formula: C9H7ClO3

MW: 198.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	198.60
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	198.0083718
Monoisotopic Mass	198.0083718
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	205
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
OR75712-01	Methyl 4-chloro-2-formylbenzoate
OR91437-01	Methyl 4-chloro-3-formylbenzoate
OR927487-01	Methyl 3-chloro-4-formylbenzoate
OR93550-01	Methyl 2-chloro-5-formylbenzoate
PC1015930-01	Methyl 4-chloro-2-fluoro-3-formylbenzoate
OR1070202-01	Methyl 2-chloro-3-formylbenzoate
OR92653-01	Methyl 5-chloro-2-formylbenzoate
OR3659-01	Methyl 4-formylbenzoate
OR1067403-01	Methyl 4-cyano-2-formylbenzoate
OR400781-01	Methyl 4-bromo-2-formylbenzoate

Catalog	Name
BQB33616	Methyl 4-chloro-2-formylbenzoate
455212-01	Methyl 3-chloro-4-formylbenzoate
URB92098	Methyl 4-chloro-3-formylbenzoate
PMC84103-01	Methyl 2-chloro-3-formylbenzoate
HY-78000-01	Methyl 4-formylbenzoate
KAC79542-01	Methyl 4-bromo-2-formylbenzoate
QDA48452-01	Methyl 2-bromo-4-formylbenzoate
454943-01	Methyl 2-fluoro-4-formylbenzoate
EKB54248-01	Methyl 3-chloro-5-formylbenzoate
sc-263526	Methyl 2-formylbenzoate