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Home > Nitro Compounds > 1417794-35-4
1417794-35-4 | 3-Pyrrolidinemethanol, 1-(6-nitro-2-quinoxalinyl)-
CAS No: 1417794-35-4 Catalog No: AG001H52 MDL No:MFCD22631724
Product Description
Catalog Number:
AG001H52
Chemical Name:
3-Pyrrolidinemethanol, 1-(6-nitro-2-quinoxalinyl)-
CAS Number:
1417794-35-4
Molecular Formula:
C13H14N4O3
Molecular Weight:
274.2753
MDL Number:
MFCD22631724
IUPAC Name:
[1-(6-nitroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
InChI:
InChI=1S/C13H14N4O3/c18-8-9-3-4-16(7-9)13-6-14-12-5-10(17(19)20)1-2-11(12)15-13/h1-2,5-6,9,18H,3-4,7-8H2
InChI Key:
VDPAEMZHKRRLNI-UHFFFAOYSA-N
SMILES:
OCC1CCN(C1)c1cnc2c(n1)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:
274.107g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.28g/mol
Monoisotopic Mass:
274.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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