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131844-30-9 | Cyclopropanamine, 2-(3-chlorophenyl)-, (1R,2S)-rel-
CAS No: 131844-30-9 Catalog No: AG000ZTD MDL No:
Product Description
Catalog Number:
AG000ZTD
Chemical Name:
Cyclopropanamine, 2-(3-chlorophenyl)-, (1R,2S)-rel-
CAS Number:
131844-30-9
Molecular Formula:
C9H10ClN
Molecular Weight:
167.6354
IUPAC Name:
2-(3-chlorophenyl)cyclopropan-1-amine
InChI:
InChI=1S/C9H10ClN/c10-7-3-1-2-6(4-7)8-5-9(8)11/h1-4,8-9H,5,11H2
InChI Key:
BXWIHRPPNLMSME-UHFFFAOYSA-N
SMILES:
N[C@@H]1C[C@H]1c1cccc(c1)Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.05g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
167.636g/mol
Monoisotopic Mass:
167.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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