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117297-54-8 | Benzoic acid, 2-amino-5-(2-chlorophenoxy)-
CAS No: 117297-54-8 Catalog No: AG000E2Z MDL No:
Product Description
Catalog Number:
AG000E2Z
Chemical Name:
Benzoic acid, 2-amino-5-(2-chlorophenoxy)-
CAS Number:
117297-54-8
Molecular Formula:
C13H10ClNO3
Molecular Weight:
263.6764
IUPAC Name:
2-amino-5-(2-chlorophenoxy)benzoic acid
InChI:
InChI=1S/C13H10ClNO3/c14-10-3-1-2-4-12(10)18-8-5-6-11(15)9(7-8)13(16)17/h1-7H,15H2,(H,16,17)
InChI Key:
JTBDRRSGXABCFN-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Oc1ccc(c(c1)C(=O)O)N
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.677g/mol
Monoisotopic Mass:
263.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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