Home Halogens Methyl 3-chloro-4-methoxybenzoate

Methyl 3-chloro-4-methoxybenzoate

CAS No.:
37908-98-8
Catalog Number:
AG003RRP
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
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Product Description
Catalog Number:
AG003RRP
Chemical Name:
Methyl 3-chloro-4-methoxybenzoate
CAS Number:
37908-98-8
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD00017188
IUPAC Name:
methyl 3-chloro-4-methoxybenzoate
InChI:
InChI=1S/C9H9ClO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
InChI Key:
PINQDVFQCCFACD-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)OC
EC Number:
253-709-4
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.024g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.618g/mol
Monoisotopic Mass:
200.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Optimization of the solid-phase microextraction method in the determination of Ixodes ricinus (L.) volatiles. Journal of separation science 20060201
Properties