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Home > Nitro Compounds > 1461706-56-8
1461706-56-8 | 1-(cyclopropylmethyl)-6-nitro-1,2,3,4-tetrahydroquinolin-2-one
CAS No: 1461706-56-8 Catalog No: AG01ABW6 MDL No:MFCD26407759
Product Description
Catalog Number:
AG01ABW6
Chemical Name:
1-(cyclopropylmethyl)-6-nitro-1,2,3,4-tetrahydroquinolin-2-one
CAS Number:
1461706-56-8
Molecular Formula:
C13H14N2O3
Molecular Weight:
246.2619
MDL Number:
MFCD26407759
IUPAC Name:
1-(cyclopropylmethyl)-6-nitro-3,4-dihydroquinolin-2-one
InChI:
InChI=1S/C13H14N2O3/c16-13-6-3-10-7-11(15(17)18)4-5-12(10)14(13)8-9-1-2-9/h4-5,7,9H,1-3,6,8H2
InChI Key:
BJOXVWYEYBLYGN-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(N1CC1CC1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.266g/mol
Monoisotopic Mass:
246.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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