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Home > Nitro Compounds > 923248-99-1
923248-99-1 | 1-[5-(3-methylpiperidin-1-yl)-2-nitrophenyl]ethan-1-one
CAS No: 923248-99-1 Catalog No: AG00INL5 MDL No:MFCD08064702
Product Description
Catalog Number:
AG00INL5
Chemical Name:
1-[5-(3-methylpiperidin-1-yl)-2-nitrophenyl]ethan-1-one
CAS Number:
923248-99-1
Molecular Formula:
C14H18N2O3
Molecular Weight:
262.3043
MDL Number:
MFCD08064702
IUPAC Name:
1-[5-(3-methylpiperidin-1-yl)-2-nitrophenyl]ethanone
InChI:
InChI=1S/C14H18N2O3/c1-10-4-3-7-15(9-10)12-5-6-14(16(18)19)13(8-12)11(2)17/h5-6,8,10H,3-4,7,9H2,1-2H3
InChI Key:
BHOBIHHOXKMPIG-UHFFFAOYSA-N
SMILES:
CC1CCCN(C1)c1ccc(c(c1)C(=O)C)[N+](=O)[O-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.132g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.309g/mol
Monoisotopic Mass:
262.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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