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Home > Nitro Compounds > 548461-24-1
548461-24-1 | 2-[(2-nitrophenyl)methyl]cyclopentan-1-one
CAS No: 548461-24-1 Catalog No: AG01A2DK MDL No:MFCD14653430
Product Description
Catalog Number:
AG01A2DK
Chemical Name:
2-[(2-nitrophenyl)methyl]cyclopentan-1-one
CAS Number:
548461-24-1
Molecular Formula:
C12H13NO3
Molecular Weight:
219.2365
MDL Number:
MFCD14653430
IUPAC Name:
2-[(2-nitrophenyl)methyl]cyclopentan-1-one
InChI:
InChI=1S/C12H13NO3/c14-12-7-3-5-10(12)8-9-4-1-2-6-11(9)13(15)16/h1-2,4,6,10H,3,5,7-8H2
InChI Key:
WHRFCXKVKLNWAI-UHFFFAOYSA-N
SMILES:
O=C1CCCC1Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.09g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.24g/mol
Monoisotopic Mass:
219.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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