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Home > Nitro Compounds > 887595-31-5
887595-31-5 | Ethanone,1-[3-nitro-4-(1-pyrrolidinyl)phenyl]-
CAS No: 887595-31-5 Catalog No: AG004B9O MDL No:MFCD00050082
Product Description
Catalog Number:
AG004B9O
Chemical Name:
Ethanone,1-[3-nitro-4-(1-pyrrolidinyl)phenyl]-
CAS Number:
887595-31-5
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD00050082
IUPAC Name:
1-(3-nitro-4-pyrrolidin-1-ylphenyl)ethanone
InChI:
InChI=1S/C12H14N2O3/c1-9(15)10-4-5-11(12(8-10)14(16)17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
VWRRVRRXUGSDIR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCCC1)C(=O)C
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.255g/mol
Monoisotopic Mass:
234.1g/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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