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Home > Nitro Compounds > 917748-15-3
917748-15-3 | 1-Benzyl-3-nitro-pyrrolidin-2-ol
CAS No: 917748-15-3 Catalog No: AG01EZ6G MDL No:
Product Description
Catalog Number:
AG01EZ6G
Chemical Name:
1-Benzyl-3-nitro-pyrrolidin-2-ol
CAS Number:
917748-15-3
Molecular Formula:
C11H14N2O3
Molecular Weight:
222.2405
IUPAC Name:
1-benzyl-3-nitropyrrolidin-2-ol
InChI:
InChI=1S/C11H14N2O3/c14-11-10(13(15)16)6-7-12(11)8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2
InChI Key:
GJSZKSQTYVGJMO-UHFFFAOYSA-N
SMILES:
OC1N(CCC1[N+](=O)[O-])Cc1ccccc1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.1g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.244g/mol
Monoisotopic Mass:
222.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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