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14670-04-3 | Benzoic acid, 3-chloro-4-methoxy-, ethyl ester
CAS No: 14670-04-3 Catalog No: AG001E97 MDL No:
Product Description
Catalog Number:
AG001E97
Chemical Name:
Benzoic acid, 3-chloro-4-methoxy-, ethyl ester
CAS Number:
14670-04-3
Molecular Formula:
C10H11ClO3
Molecular Weight:
214.6455
IUPAC Name:
ethyl 3-chloro-4-methoxybenzoate
InChI:
InChI=1S/C10H11ClO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3H2,1-2H3
InChI Key:
HEKNQCPDISZPCL-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Cl)OC
EC Number:
238-714-1
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.645g/mol
Monoisotopic Mass:
214.04g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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