Home Other Building Blocks METHYL 2-AMINO-3,4,5-TRIFLUOROBENZOATE

METHYL 2-AMINO-3,4,5-TRIFLUOROBENZOATE

CAS No.:
1183999-23-6
Catalog Number:
AG01DV1N
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
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Product Description
Catalog Number:
AG01DV1N
Chemical Name:
METHYL 2-AMINO-3,4,5-TRIFLUOROBENZOATE
CAS Number:
1183999-23-6
Molecular Formula:
C8H6F3NO2
Molecular Weight:
205.1339
MDL Number:
MFCD12159862
IUPAC Name:
methyl 2-amino-3,4,5-trifluorobenzoate
InChI:
InChI=1S/C8H6F3NO2/c1-14-8(13)3-2-4(9)5(10)6(11)7(3)12/h2H,12H2,1H3
InChI Key:
GYFSSALOSXYHED-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1N)F)F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.136g/mol
Monoisotopic Mass:
205.035g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties