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Home > Nitro Compounds > 950692-85-0
950692-85-0 | N-(2-hydroxypropyl)-4-nitrobenzamide
CAS No: 950692-85-0 Catalog No: AG00JH4T MDL No:MFCD09204358
Product Description
Catalog Number:
AG00JH4T
Chemical Name:
N-(2-hydroxypropyl)-4-nitrobenzamide
CAS Number:
950692-85-0
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
MDL Number:
MFCD09204358
IUPAC Name:
N-(2-hydroxypropyl)-4-nitrobenzamide
InChI:
InChI=1S/C10H12N2O4/c1-7(13)6-11-10(14)8-2-4-9(5-3-8)12(15)16/h2-5,7,13H,6H2,1H3,(H,11,14)
InChI Key:
DJKCJZWSXXVJRE-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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