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1003708-08-4 | Benzoic acid, 2-amino-3-chloro-5-(trifluoromethoxy)-, methyl ester
CAS No: 1003708-08-4 Catalog No: AG0001R9 MDL No:MFCD09835202
Product Description
Catalog Number:
AG0001R9
Chemical Name:
Benzoic acid, 2-amino-3-chloro-5-(trifluoromethoxy)-, methyl ester
CAS Number:
1003708-08-4
Molecular Formula:
C9H7ClF3NO3
Molecular Weight:
269.6050
MDL Number:
MFCD09835202
IUPAC Name:
methyl 2-amino-3-chloro-5-(trifluoromethoxy)benzoate
InChI:
InChI=1S/C9H7ClF3NO3/c1-16-8(15)5-2-4(17-9(11,12)13)3-6(10)7(5)14/h2-3H,14H2,1H3
InChI Key:
FLUHLRSUIMWSLN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc(c1N)Cl)OC(F)(F)F
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.007g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.604g/mol
Monoisotopic Mass:
269.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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