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1249711-69-0 | Benzeneacetic acid, α-amino-4-chloro-3-fluoro-, methyl ester
CAS No: 1249711-69-0 Catalog No: AG000MXM MDL No:MFCD16040261
Product Description
Catalog Number:
AG000MXM
Chemical Name:
Benzeneacetic acid, α-amino-4-chloro-3-fluoro-, methyl ester
CAS Number:
1249711-69-0
Molecular Formula:
C9H9ClFNO2
Molecular Weight:
217.6247
MDL Number:
MFCD16040261
IUPAC Name:
methyl 2-amino-2-(4-chloro-3-fluorophenyl)acetate
InChI:
InChI=1S/C9H9ClFNO2/c1-14-9(13)8(12)5-2-3-6(10)7(11)4-5/h2-4,8H,12H2,1H3
InChI Key:
YULZAFXHGRLNKD-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(c(c1)F)Cl)N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.624g/mol
Monoisotopic Mass:
217.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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