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Home > Nitro Compounds > 56915-83-4
56915-83-4 | 1-[2-nitro-5-(pyrrolidin-1-yl)phenyl]ethan-1-one
CAS No: 56915-83-4 Catalog No: AG00IWCQ MDL No:MFCD08064704
Product Description
Catalog Number:
AG00IWCQ
Chemical Name:
1-[2-nitro-5-(pyrrolidin-1-yl)phenyl]ethan-1-one
CAS Number:
56915-83-4
Molecular Formula:
C12H14N2O3
Molecular Weight:
234.2512
MDL Number:
MFCD08064704
IUPAC Name:
1-(2-nitro-5-pyrrolidin-1-ylphenyl)ethanone
InChI:
InChI=1S/C12H14N2O3/c1-9(15)11-8-10(13-6-2-3-7-13)4-5-12(11)14(16)17/h4-5,8H,2-3,6-7H2,1H3
InChI Key:
QYRIEOSOMTUZBK-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1[N+](=O)[O-])N1CCCC1
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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