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Home > Nitro Compounds > 947-79-5
947-79-5 | N-isopropyl-2-nitrobenzamide
CAS No: 947-79-5 Catalog No: AG00JGPD MDL No:MFCD00830981
Product Description
Catalog Number:
AG00JGPD
Chemical Name:
N-isopropyl-2-nitrobenzamide
CAS Number:
947-79-5
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD00830981
IUPAC Name:
2-nitro-N-propan-2-ylbenzamide
InChI:
InChI=1S/C10H12N2O3/c1-7(2)11-10(13)8-5-3-4-6-9(8)12(14)15/h3-7H,1-2H3,(H,11,13)
InChI Key:
ZJMWYEHEWWSKQV-UHFFFAOYSA-N
SMILES:
CC(NC(=O)c1ccccc1[N+](=O)[O-])C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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