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1137474-81-7 | Benzeneacetic acid, α-amino-3-fluoro-, hydrochloride (1:1)
CAS No: 1137474-81-7 Catalog No: AG0009J6 MDL No:MFCD06410537
Product Description
Catalog Number:
AG0009J6
Chemical Name:
Benzeneacetic acid, α-amino-3-fluoro-, hydrochloride (1:1)
CAS Number:
1137474-81-7
Molecular Formula:
C8H9ClFNO2
Molecular Weight:
205.6140
MDL Number:
MFCD06410537
IUPAC Name:
2-amino-2-(3-fluorophenyl)acetic acid;hydrochloride
InChI:
InChI=1S/C8H8FNO2.ClH/c9-6-3-1-2-5(4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H
InChI Key:
OQGGWZGRLMAZBS-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1cccc(c1)F)N.Cl
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.613g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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