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1261269-01-5 | Benzoic acid, 3-amino-5-chloro-, ethyl ester
CAS No: 1261269-01-5 Catalog No: AG000RQ2 MDL No:MFCD17276491
Product Description
Catalog Number:
AG000RQ2
Chemical Name:
Benzoic acid, 3-amino-5-chloro-, ethyl ester
CAS Number:
1261269-01-5
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD17276491
IUPAC Name:
ethyl 3-amino-5-chlorobenzoate
InChI:
InChI=1S/C9H10ClNO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2,11H2,1H3
InChI Key:
QZZLHCKPHMTUMA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(N)cc(c1)Cl
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:
2.1
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