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1157581-09-3 | Benzenemethanamine, 4-fluoro-3-methoxy-α-methyl-, (αR)-
CAS No: 1157581-09-3 Catalog No: AG000GTM MDL No:MFCD08057442
Product Description
Catalog Number:
AG000GTM
Chemical Name:
Benzenemethanamine, 4-fluoro-3-methoxy-α-methyl-, (αR)-
CAS Number:
1157581-09-3
Molecular Formula:
C9H12FNO
Molecular Weight:
169.1961
MDL Number:
MFCD08057442
IUPAC Name:
(1R)-1-(4-fluoro-3-methoxyphenyl)ethanamine
InChI:
InChI=1S/C9H12FNO/c1-6(11)7-3-4-8(10)9(5-7)12-2/h3-6H,11H2,1-2H3/t6-/m1/s1
InChI Key:
ZYUQFKDHMDFLHO-ZCFIWIBFSA-N
SMILES:
COc1cc(ccc1F)[C@H](N)C
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
169.09g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
169.199g/mol
Monoisotopic Mass:
169.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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