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Home > Nitro Compounds > 2060052-71-1
2060052-71-1 | 2-(4-nitrophenyl)pyrrolidin-3-ol
CAS No: 2060052-71-1 Catalog No: AG01BOXT MDL No:MFCD30499704
Product Description
Catalog Number:
AG01BOXT
Chemical Name:
2-(4-nitrophenyl)pyrrolidin-3-ol
CAS Number:
2060052-71-1
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD30499704
IUPAC Name:
2-(4-nitrophenyl)pyrrolidin-3-ol
InChI:
InChI=1S/C10H12N2O3/c13-9-5-6-11-10(9)7-1-3-8(4-2-7)12(14)15/h1-4,9-11,13H,5-6H2
InChI Key:
DNCHOAPRXWJOPF-UHFFFAOYSA-N
SMILES:
OC1CCNC1c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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