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1183754-77-9 | [(3-Fluoro-benzyl)-isopropyl-amino]-acetic acid
CAS No: 1183754-77-9 Catalog No: AG01F9QB MDL No:
Product Description
Catalog Number:
AG01F9QB
Chemical Name:
[(3-Fluoro-benzyl)-isopropyl-amino]-acetic acid
CAS Number:
1183754-77-9
Molecular Formula:
C12H16FNO2
Molecular Weight:
225.2593
IUPAC Name:
2-[(3-fluorophenyl)methyl-propan-2-ylamino]acetic acid
InChI:
InChI=1S/C12H16FNO2/c1-9(2)14(8-12(15)16)7-10-4-3-5-11(13)6-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChI Key:
XMSXZYWWCWDLKW-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C(C)C)Cc1cccc(c1)F
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.117g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.263g/mol
Monoisotopic Mass:
225.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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