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1006614-49-8 | Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-rel-
CAS No: 1006614-49-8 Catalog No: AG0002L8 MDL No:
Product Description
Catalog Number:
AG0002L8
Chemical Name:
Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-rel-
CAS Number:
1006614-49-8
Molecular Formula:
C9H9F2N
Molecular Weight:
169.1713
IUPAC Name:
(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
InChI:
InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m0/s1
InChI Key:
QVUBIQNXHRPJKK-IMTBSYHQSA-N
SMILES:
N[C@@H]1C[C@H]1c1ccc(c(c1)F)F
EC Number:
606-906-8
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
169.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.175g/mol
Monoisotopic Mass:
169.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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