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763073-51-4 | Benzenebutanoic acid, b-amino-4-fluoro-, (bR)-
CAS No: 763073-51-4 Catalog No: AG005E74 MDL No:
Product Description
Catalog Number:
AG005E74
Chemical Name:
Benzenebutanoic acid, b-amino-4-fluoro-, (bR)-
CAS Number:
763073-51-4
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
IUPAC Name:
(3R)-3-amino-4-(4-fluorophenyl)butanoic acid
InChI:
InChI=1S/C10H12FNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m1/s1
InChI Key:
MWAZHPYPJNEKID-SECBINFHSA-N
SMILES:
N[C@H](Cc1ccc(cc1)F)CC(=O)O
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
197.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.209g/mol
Monoisotopic Mass:
197.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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