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1217443-60-1 | Benzenemethanamine, 2-fluoro-α,5-dimethyl-, (αS)-
CAS No: 1217443-60-1 Catalog No: AG0015O3 MDL No:
Product Description
Catalog Number:
AG0015O3
Chemical Name:
Benzenemethanamine, 2-fluoro-α,5-dimethyl-, (αS)-
CAS Number:
1217443-60-1
Molecular Formula:
C9H12FN
Molecular Weight:
153.1967
IUPAC Name:
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C9H12FN.ClH/c1-6-3-4-9(10)8(5-6)7(2)11;/h3-5,7H,11H2,1-2H3;1H/t7-;/m0./s1
InChI Key:
HJMGPKQOWKNPAE-FJXQXJEOSA-N
SMILES:
Cc1ccc(c(c1)[C@@H](N)C)F
Properties
Complexity:
127
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:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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