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1310923-31-9 | Benzenemethanamine, α-ethyl-3-fluoro-, hydrochloride (1:1), (αS)-
CAS No: 1310923-31-9 Catalog No: AG000VID MDL No:MFCD12757046
Product Description
Catalog Number:
AG000VID
Chemical Name:
Benzenemethanamine, α-ethyl-3-fluoro-, hydrochloride (1:1), (αS)-
CAS Number:
1310923-31-9
Molecular Formula:
C9H13ClFN
Molecular Weight:
189.6576
MDL Number:
MFCD12757046
IUPAC Name:
(1S)-1-(3-fluorophenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C9H12FN.ClH/c1-2-9(11)7-4-3-5-8(10)6-7;/h3-6,9H,2,11H2,1H3;1H/t9-;/m0./s1
InChI Key:
ODZRCWFYKMOLKD-FVGYRXGTSA-N
SMILES:
CC[C@@H](c1cccc(c1)F)N.Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
189.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.658g/mol
Monoisotopic Mass:
189.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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