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1392273-41-4 | Benzoic acid, 3-amino-2,6-difluoro-, methyl ester, hydrochloride (1:1)
CAS No: 1392273-41-4 Catalog No: AG001AJ4 MDL No:MFCD19687276
Product Description
Catalog Number:
AG001AJ4
Chemical Name:
Benzoic acid, 3-amino-2,6-difluoro-, methyl ester, hydrochloride (1:1)
CAS Number:
1392273-41-4
Molecular Formula:
C8H8ClF2NO2
Molecular Weight:
223.6044
MDL Number:
MFCD19687276
IUPAC Name:
methyl 3-amino-2,6-difluorobenzoate;hydrochloride
InChI:
InChI=1S/C8H7F2NO2.ClH/c1-13-8(12)6-4(9)2-3-5(11)7(6)10;/h2-3H,11H2,1H3;1H
InChI Key:
TWQXWBSPOVGBBW-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(F)ccc(c1F)N.Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.604g/mol
Monoisotopic Mass:
223.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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