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Home > Nitro Compounds > 138219-89-3
138219-89-3 | 2-Pyrrolidinemethanol, 1-(6-nitro-2-quinolinyl)-, (S)- (9CI)
CAS No: 138219-89-3 Catalog No: AG0018BN MDL No:
Product Description
Catalog Number:
AG0018BN
Chemical Name:
2-Pyrrolidinemethanol, 1-(6-nitro-2-quinolinyl)-, (S)- (9CI)
CAS Number:
138219-89-3
Molecular Formula:
C14H15N3O3
Molecular Weight:
273.2872
IUPAC Name:
[1-(6-nitroquinolin-2-yl)pyrrolidin-2-yl]methanol
InChI:
InChI=1S/C14H15N3O3/c18-9-12-2-1-7-16(12)14-6-3-10-8-11(17(19)20)4-5-13(10)15-14/h3-6,8,12,18H,1-2,7,9H2
InChI Key:
HXMBLIJEMIRGPW-UHFFFAOYSA-N
SMILES:
OC[C@@H]1CCCN1c1ccc2c(n1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.292g/mol
Monoisotopic Mass:
273.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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