Home Halogens methyl 3-amino-2-chloro-4,5-difluorobenzoate

methyl 3-amino-2-chloro-4,5-difluorobenzoate

CAS No.:
1339551-27-7
Catalog Number:
AG01DV9S
Molecular Formula:
C8H6ClF2NO2
Molecular Weight:
221.5885
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Product Description
Catalog Number:
AG01DV9S
Chemical Name:
methyl 3-amino-2-chloro-4,5-difluorobenzoate
CAS Number:
1339551-27-7
Molecular Formula:
C8H6ClF2NO2
Molecular Weight:
221.5885
MDL Number:
MFCD17276511
IUPAC Name:
methyl 3-amino-2-chloro-4,5-difluorobenzoate
InChI:
InChI=1S/C8H6ClF2NO2/c1-14-8(13)3-2-4(10)6(11)7(12)5(3)9/h2H,12H2,1H3
InChI Key:
WWBIAFFDTFFTBB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1Cl)N)F
Properties
Complexity:
229  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.006g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.588g/mol
Monoisotopic Mass:
221.006g/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