Home Aminos Benzoic acid, 2-amino-3,6-difluoro-, methyl ester

Benzoic acid, 2-amino-3,6-difluoro-, methyl ester

CAS No.:
1184204-30-5
Catalog Number:
AG000IT6
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
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Product Description
Catalog Number:
AG000IT6
Chemical Name:
Benzoic acid, 2-amino-3,6-difluoro-, methyl ester
CAS Number:
1184204-30-5
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD12159870
IUPAC Name:
methyl 2-amino-3,6-difluorobenzoate
InChI:
InChI=1S/C8H7F2NO2/c1-13-8(12)6-4(9)2-3-5(10)7(6)11/h2-3H,11H2,1H3
InChI Key:
SWVGSVMHUSBITN-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccc(c1N)F
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.044g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
187.146g/mol
Monoisotopic Mass:
187.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties