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1160574-67-3 | Benzoic acid, 4-amino-3-bromo-5-fluoro-, ethyl ester
CAS No: 1160574-67-3 Catalog No: AG000BIJ MDL No:MFCD11846088
Product Description
Catalog Number:
AG000BIJ
Chemical Name:
Benzoic acid, 4-amino-3-bromo-5-fluoro-, ethyl ester
CAS Number:
1160574-67-3
Molecular Formula:
C9H9BrFNO2
Molecular Weight:
262.0757
MDL Number:
MFCD11846088
IUPAC Name:
ethyl 4-amino-3-bromo-5-fluorobenzoate
InChI:
InChI=1S/C9H9BrFNO2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2,12H2,1H3
InChI Key:
BHKBHSSXYVBUIT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(F)c(c(c1)Br)N
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.98g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.078g/mol
Monoisotopic Mass:
260.98g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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