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16017-69-9 | Benzoic acid, 4-amino-2-chloro-, ethyl ester
CAS No: 16017-69-9 Catalog No: AG001RPW MDL No:MFCD09034640
Product Description
Catalog Number:
AG001RPW
Chemical Name:
Benzoic acid, 4-amino-2-chloro-, ethyl ester
CAS Number:
16017-69-9
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD09034640
IUPAC Name:
ethyl 4-amino-2-chlorobenzoate
InChI:
InChI=1S/C9H10ClNO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2,11H2,1H3
InChI Key:
RAIGEAVXXPZKJB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1Cl)N
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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