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24572-86-9 | Benzamide, 5-nitro-2-propoxy-
CAS No: 24572-86-9 Catalog No: AG002OM5 MDL No:
Product Description
Catalog Number:
AG002OM5
Chemical Name:
Benzamide, 5-nitro-2-propoxy-
CAS Number:
24572-86-9
Molecular Formula:
C10H12N2O4
Molecular Weight:
224.2133
IUPAC Name:
5-nitro-2-propoxybenzamide
InChI:
InChI=1S/C10H12N2O4/c1-2-5-16-9-4-3-7(12(14)15)6-8(9)10(11)13/h3-4,6H,2,5H2,1H3,(H2,11,13)
InChI Key:
CVMPEAZMAIZTPK-UHFFFAOYSA-N
SMILES:
CCCOc1ccc(cc1C(=O)N)[N+](=O)[O-]
Properties
Complexity:
264
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:
1
Isotope Atom Count:
0
Molecular Weight:
224.216g/mol
Monoisotopic Mass:
224.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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