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1807938-62-0 | Cyclopropanamine, 2-(4-chloro-3-fluorophenyl)-, hydrochloride (1:1), (1R,2S)-rel-
CAS No: 1807938-62-0 Catalog No: AG0022CD MDL No:
Product Description
Catalog Number:
AG0022CD
Chemical Name:
Cyclopropanamine, 2-(4-chloro-3-fluorophenyl)-, hydrochloride (1:1), (1R,2S)-rel-
CAS Number:
1807938-62-0
Molecular Formula:
C9H10Cl2FN
Molecular Weight:
222.0868
IUPAC Name:
(1S,2R)-2-(4-chloro-3-fluorophenyl)cyclopropan-1-amine;hydrochloride
InChI:
InChI=1S/C9H9ClFN.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H/t6-,9+;/m1./s1
InChI Key:
HUBHZRKHOYLABE-VNUWRVCDSA-N
SMILES:
N[C@H]1C[C@@H]1c1ccc(c(c1)F)Cl.Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
221.017g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.084g/mol
Monoisotopic Mass:
221.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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