Home Amines 1162676-00-7
1162676-00-7,MFCD20725083
Catalog No.:AA000BZN
1162676-00-7 | Methyl 4-amino-3,5-difluorobenzoate
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100mg
95%
in stock  
$66.00   $46.00
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250mg
95%
in stock  
$101.00   $71.00
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Technical Information
Catalog Number:
AA000BZN
Chemical Name:
Methyl 4-amino-3,5-difluorobenzoate
CAS Number:
1162676-00-7
Molecular Formula:
C8H7F2NO2
Molecular Weight:
187.1435
MDL Number:
MFCD20725083
IUPAC Name:
methyl 4-amino-3,5-difluorobenzoate
InChI:
InChI=1S/C8H7F2NO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
InChI Key:
USVQDPOQLNDARY-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)c(c(c1)F)N
Properties
Computed Properties
 
Complexity:
189  
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:
1.3  

Synonyms
 
methyl 4-amino-3,5-difluorobenzoate 
1162676-00-7 
SB11378 
KS-000004D1 
AS-33955 
TX-017735 
CS-0049059 
4-amino-3,5-difluoro-benzoic acid methyl ester 
Benzoic acid, 4-amino-3,5-difluoro-, methyl ester 
methyl4-amino-3,5-difluorobenzoate 
SCHEMBL3445770 
CTK8E6045 
USVQDPOQLNDARY-UHFFFAOYSA-N 
MFCD20725083 
ZINC59358694 
AKOS024203523 
NE44833 
Literature
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