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18189-09-8 | Benzoic acid, 2-amino-5-chloro-, heptyl ester
CAS No: 18189-09-8 Catalog No: AG00237V MDL No:
Product Description
Catalog Number:
AG00237V
Chemical Name:
Benzoic acid, 2-amino-5-chloro-, heptyl ester
CAS Number:
18189-09-8
Molecular Formula:
C14H20ClNO2
Molecular Weight:
269.7671
IUPAC Name:
heptyl 2-amino-5-chlorobenzoate
InChI:
InChI=1S/C14H20ClNO2/c1-2-3-4-5-6-9-18-14(17)12-10-11(15)7-8-13(12)16/h7-8,10H,2-6,9,16H2,1H3
InChI Key:
JBBXMSNYFQZXJW-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)c1cc(Cl)ccc1N
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.118g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.769g/mol
Monoisotopic Mass:
269.118g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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