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6970-77-0 | N-(4,5-DIMETHYL-2-NITRO-PHENYL)-ACETAMIDE
CAS No: 6970-77-0 Catalog No: AG00FAH1 MDL No:MFCD00024536
Product Description
Catalog Number:
AG00FAH1
Chemical Name:
N-(4,5-DIMETHYL-2-NITRO-PHENYL)-ACETAMIDE
CAS Number:
6970-77-0
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD00024536
IUPAC Name:
N-(4,5-dimethyl-2-nitrophenyl)acetamide
InChI:
InChI=1S/C10H12N2O3/c1-6-4-9(11-8(3)13)10(12(14)15)5-7(6)2/h4-5H,1-3H3,(H,11,13)
InChI Key:
DNUIVCQNUPJXIA-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cc(C)c(cc1[N+](=O)[O-])C
NSC Number:
62092
Properties
Complexity:
262
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:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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