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1162676-00-7 | Benzoic acid, 4-amino-3,5-difluoro-, methyl ester
CAS No: 1162676-00-7 Catalog No: AG000C2F MDL No:MFCD20725083
Product Description
Catalog Number:
AG000C2F
Chemical Name:
Benzoic acid, 4-amino-3,5-difluoro-, methyl ester
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
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
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