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834155-44-1 | Cyclopropanamine, 2-fluoro-1-(4-methoxyphenyl)-, (1S,2S)-
CAS No: 834155-44-1 Catalog No: AG0054GQ MDL No:
Product Description
Catalog Number:
AG0054GQ
Chemical Name:
Cyclopropanamine, 2-fluoro-1-(4-methoxyphenyl)-, (1S,2S)-
CAS Number:
834155-44-1
Molecular Formula:
C10H12FNO
Molecular Weight:
181.2068
IUPAC Name:
(1S,2S)-2-fluoro-1-(4-methoxyphenyl)cyclopropan-1-amine
InChI:
InChI=1S/C10H12FNO/c1-13-8-4-2-7(3-5-8)10(12)6-9(10)11/h2-5,9H,6,12H2,1H3/t9-,10-/m0/s1
InChI Key:
RJPMGAJSSUPUBR-UWVGGRQHSA-N
SMILES:
COc1ccc(cc1)[C@@]1(N)C[C@@H]1F
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
181.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.21g/mol
Monoisotopic Mass:
181.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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