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Home > Nitro Compounds > 99841-36-8
99841-36-8 | N1-(2-NITRO-4-PROPYLPHENYL)ACETAMIDE
CAS No: 99841-36-8 Catalog No: AG003W78 MDL No:MFCD00833400
Product Description
Catalog Number:
AG003W78
Chemical Name:
N1-(2-NITRO-4-PROPYLPHENYL)ACETAMIDE
CAS Number:
99841-36-8
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
MDL Number:
MFCD00833400
IUPAC Name:
N-(2-nitro-4-propylphenyl)acetamide
InChI:
InChI=1S/C11H14N2O3/c1-3-4-9-5-6-10(12-8(2)14)11(7-9)13(15)16/h5-7H,3-4H2,1-2H3,(H,12,14)
InChI Key:
SXFNOCQYZBBQRC-UHFFFAOYSA-N
SMILES:
CCCc1ccc(c(c1)[N+](=O)[O-])NC(=O)C
Properties
Complexity:
262
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:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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