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Home > Nitro Compounds > 942474-59-1
942474-59-1 | 5-NITRO-2-(PIPERIDIN-4-CARBOXAMIDE-1-YL)BENZOIC ACID
CAS No: 942474-59-1 Catalog No: AG00H0J6 MDL No:MFCD09038305
Product Description
Catalog Number:
AG00H0J6
Chemical Name:
5-NITRO-2-(PIPERIDIN-4-CARBOXAMIDE-1-YL)BENZOIC ACID
CAS Number:
942474-59-1
MDL Number:
MFCD09038305
IUPAC Name:
2-(4-carbamoylpiperidin-1-yl)-5-nitrobenzoic acid
InChI:
InChI=1S/C13H15N3O5/c14-12(17)8-3-5-15(6-4-8)11-2-1-9(16(20)21)7-10(11)13(18)19/h1-2,7-8H,3-6H2,(H2,14,17)(H,18,19)
InChI Key:
WNIUPGDWCZXMDY-UHFFFAOYSA-N
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.101g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
293.279g/mol
Monoisotopic Mass:
293.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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