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1036577-89-5 | [(3-Fluoro-benzyl)-methyl-amino]-acetic acid
CAS No: 1036577-89-5 Catalog No: AG01FAJ7 MDL No:
Product Description
Catalog Number:
AG01FAJ7
Chemical Name:
[(3-Fluoro-benzyl)-methyl-amino]-acetic acid
CAS Number:
1036577-89-5
Molecular Formula:
C10H12FNO2
Molecular Weight:
197.2062
IUPAC Name:
2-[(3-fluorophenyl)methyl-methylamino]acetic acid
InChI:
InChI=1S/C10H12FNO2/c1-12(7-10(13)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3,(H,13,14)
InChI Key:
CLERATAAPBPABO-UHFFFAOYSA-N
SMILES:
CN(Cc1cccc(c1)F)CC(=O)O
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
197.209g/mol
Monoisotopic Mass:
197.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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