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Home > Nitro Compounds > 697305-58-1
697305-58-1 | BENZAMIDE, 4-ETHYL-N,N-DIMETHYL-3-NITRO-
CAS No: 697305-58-1 Catalog No: AG005IDK MDL No:
Product Description
Catalog Number:
AG005IDK
Chemical Name:
BENZAMIDE, 4-ETHYL-N,N-DIMETHYL-3-NITRO-
CAS Number:
697305-58-1
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
4-ethyl-N,N-dimethyl-3-nitrobenzamide
InChI:
InChI=1S/C11H14N2O3/c1-4-8-5-6-9(11(14)12(2)3)7-10(8)13(15)16/h5-7H,4H2,1-3H3
InChI Key:
CDPBAUAOWGMNMW-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1[N+](=O)[O-])C(=O)N(C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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