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115977-36-1 | Cyclopropanamine, 2-(3-nitrophenyl)-, (1R,2S)-rel-
CAS No: 115977-36-1 Catalog No: AG000H93 MDL No:
Product Description
Catalog Number:
AG000H93
Chemical Name:
Cyclopropanamine, 2-(3-nitrophenyl)-, (1R,2S)-rel-
CAS Number:
115977-36-1
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
IUPAC Name:
(1R,2S)-2-(3-nitrophenyl)cyclopropan-1-amine
InChI:
InChI=1S/C9H10N2O2/c10-9-5-8(9)6-2-1-3-7(4-6)11(12)13/h1-4,8-9H,5,10H2/t8-,9+/m0/s1
InChI Key:
FGGNZQAIWREEHT-DTWKUNHWSA-N
SMILES:
N[C@@H]1C[C@H]1c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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