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116022-18-5 | Benzoic acid, 4-chloro-3-methoxy-, methyl ester
CAS No: 116022-18-5 Catalog No: AG000BEQ MDL No:MFCD02683861
Product Description
Catalog Number:
AG000BEQ
Chemical Name:
Benzoic acid, 4-chloro-3-methoxy-, methyl ester
CAS Number:
116022-18-5
Molecular Formula:
C9H9ClO3
Molecular Weight:
200.6190
MDL Number:
MFCD02683861
IUPAC Name:
methyl 4-chloro-3-methoxybenzoate
InChI:
InChI=1S/C9H9ClO3/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5H,1-2H3
InChI Key:
XOSUADSADIJLGO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)OC)Cl
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
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