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18189-08-7 | Benzoic acid, 2-amino-5-chloro-, butyl ester
CAS No: 18189-08-7 Catalog No: AG002378 MDL No:
Product Description
Catalog Number:
AG002378
Chemical Name:
Benzoic acid, 2-amino-5-chloro-, butyl ester
CAS Number:
18189-08-7
Molecular Formula:
C11H14ClNO2
Molecular Weight:
227.6874
IUPAC Name:
butyl 2-amino-5-chlorobenzoate
InChI:
InChI=1S/C11H14ClNO2/c1-2-3-6-15-11(14)9-7-8(12)4-5-10(9)13/h4-5,7H,2-3,6,13H2,1H3
InChI Key:
VGPZVSACUNPIKT-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)c1cc(Cl)ccc1N
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
227.688g/mol
Monoisotopic Mass:
227.071g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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