Home Nitros (S)-2-Amino-3-(4-nitrophenyl)propan-1-ol

(S)-2-Amino-3-(4-nitrophenyl)propan-1-ol

CAS No.:
89288-22-2
Catalog Number:
AG0040NP
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
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Product Description
Catalog Number:
AG0040NP
Chemical Name:
(S)-2-Amino-3-(4-nitrophenyl)propan-1-ol
CAS Number:
89288-22-2
Molecular Formula:
C9H12N2O3
Molecular Weight:
196.2032
MDL Number:
MFCD09751543
IUPAC Name:
(2S)-2-amino-3-(4-nitrophenyl)propan-1-ol
InChI:
InChI=1S/C9H12N2O3/c10-8(6-12)5-7-1-3-9(4-2-7)11(13)14/h1-4,8,12H,5-6,10H2/t8-/m0/s1
InChI Key:
PCLGMKWXPXAGEO-QMMMGPOBSA-N
SMILES:
OC[C@H](Cc1ccc(cc1)[N+](=O)[O-])N
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
196.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
196.206g/mol
Monoisotopic Mass:
196.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties