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89457-13-6 | Benzoic acid, 5-amino-2-bromo-4-fluoro-, 1-methylethyl ester
CAS No: 89457-13-6 Catalog No: AG0042KG MDL No:
Product Description
Catalog Number:
AG0042KG
Chemical Name:
Benzoic acid, 5-amino-2-bromo-4-fluoro-, 1-methylethyl ester
CAS Number:
89457-13-6
Molecular Formula:
C10H11BrFNO2
Molecular Weight:
276.1022
IUPAC Name:
propan-2-yl 5-amino-2-bromo-4-fluorobenzoate
InChI:
InChI=1S/C10H11BrFNO2/c1-5(2)15-10(14)6-3-9(13)8(12)4-7(6)11/h3-5H,13H2,1-2H3
InChI Key:
AXKWGFFBUWKWLG-UHFFFAOYSA-N
SMILES:
CC(OC(=O)c1cc(N)c(cc1Br)F)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.996g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.105g/mol
Monoisotopic Mass:
274.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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