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Home > Nitro Compounds > 72435-93-9
72435-93-9 | 2-Pyrrolidinemethanol, 1-(2-nitrobenzoyl)-, (S)-
CAS No: 72435-93-9 Catalog No: AG005HKU MDL No:
Product Description
Catalog Number:
AG005HKU
Chemical Name:
2-Pyrrolidinemethanol, 1-(2-nitrobenzoyl)-, (S)-
CAS Number:
72435-93-9
Molecular Formula:
C12H14N2O4
Molecular Weight:
250.2506
IUPAC Name:
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
InChI:
InChI=1S/C12H14N2O4/c15-8-9-4-3-7-13(9)12(16)10-5-1-2-6-11(10)14(17)18/h1-2,5-6,9,15H,3-4,7-8H2/t9-/m0/s1
InChI Key:
WSNWTEDNJVCMEI-VIFPVBQESA-N
SMILES:
OC[C@@H]1CCCN1C(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
250.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.254g/mol
Monoisotopic Mass:
250.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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