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Home > Nitro Compounds > 878653-47-5
878653-47-5 | N-[1-(3-nitrophenyl)ethyl]acetamide
CAS No: 878653-47-5 Catalog No: AG00JH2F MDL No:MFCD07658181
Product Description
Catalog Number:
AG00JH2F
Chemical Name:
N-[1-(3-nitrophenyl)ethyl]acetamide
CAS Number:
878653-47-5
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD07658181
IUPAC Name:
N-[1-(3-nitrophenyl)ethyl]acetamide
InChI:
InChI=1S/C10H12N2O3/c1-7(11-8(2)13)9-4-3-5-10(6-9)12(14)15/h3-7H,1-2H3,(H,11,13)
InChI Key:
OSXYCGNYYDVLSQ-UHFFFAOYSA-N
SMILES:
CC(=O)NC(c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
250
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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