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1183443-45-9 | [Cyclopropyl-(3-fluoro-benzyl)-amino]-acetic acid
CAS No: 1183443-45-9 Catalog No: AG01F96P MDL No:
Product Description
Catalog Number:
AG01F96P
Chemical Name:
[Cyclopropyl-(3-fluoro-benzyl)-amino]-acetic acid
CAS Number:
1183443-45-9
Molecular Formula:
C12H14FNO2
Molecular Weight:
223.2435
IUPAC Name:
2-[cyclopropyl-[(3-fluorophenyl)methyl]amino]acetic acid
InChI:
InChI=1S/C12H14FNO2/c13-10-3-1-2-9(6-10)7-14(8-12(15)16)11-4-5-11/h1-3,6,11H,4-5,7-8H2,(H,15,16)
InChI Key:
PIDUZGJVOXRIGY-UHFFFAOYSA-N
SMILES:
OC(=O)CN(C1CC1)Cc1cccc(c1)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.101g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.247g/mol
Monoisotopic Mass:
223.101g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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