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Home > Nitro Compounds > 681477-54-3
681477-54-3 | 2-(2-NITROPHENYL)-3-OXOBUTANENITRILE
CAS No: 681477-54-3 Catalog No: AG01BP2V MDL No:MFCD01652237
Product Description
Catalog Number:
AG01BP2V
Chemical Name:
2-(2-NITROPHENYL)-3-OXOBUTANENITRILE
CAS Number:
681477-54-3
Molecular Formula:
C10H8N2O3
Molecular Weight:
204.1821
MDL Number:
MFCD01652237
IUPAC Name:
2-(2-nitrophenyl)-3-oxobutanenitrile
InChI:
InChI=1S/C10H8N2O3/c1-7(13)9(6-11)8-4-2-3-5-10(8)12(14)15/h2-5,9H,1H3
InChI Key:
QDMWQZBKADZEQS-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1[N+](=O)[O-])C(=O)C
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.053g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.185g/mol
Monoisotopic Mass:
204.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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