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141288-44-0 | Benzoic acid, 3,5-diamino-, phenyl ester
CAS No: 141288-44-0 Catalog No: AG001G61 MDL No:
Product Description
Catalog Number:
AG001G61
Chemical Name:
Benzoic acid, 3,5-diamino-, phenyl ester
CAS Number:
141288-44-0
Molecular Formula:
C13H12N2O2
Molecular Weight:
228.2466
IUPAC Name:
phenyl 3,5-diaminobenzoate
InChI:
InChI=1S/C13H12N2O2/c14-10-6-9(7-11(15)8-10)13(16)17-12-4-2-1-3-5-12/h1-8H,14-15H2
InChI Key:
GMIYURCWSJKRKX-UHFFFAOYSA-N
SMILES:
Nc1cc(N)cc(c1)C(=O)Oc1ccccc1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.251g/mol
Monoisotopic Mass:
228.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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