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Home > Bromides > 1160574-85-5
1160574-85-5 | Benzoic acid, 3-bromo-4,5-dichloro-, ethyl ester
CAS No: 1160574-85-5 Catalog No: AG000BIF MDL No:MFCD11846096
Product Description
Catalog Number:
AG000BIF
Chemical Name:
Benzoic acid, 3-bromo-4,5-dichloro-, ethyl ester
CAS Number:
1160574-85-5
Molecular Formula:
C9H7BrCl2O2
Molecular Weight:
297.9607
MDL Number:
MFCD11846096
IUPAC Name:
ethyl 3-bromo-4,5-dichlorobenzoate
InChI:
InChI=1S/C9H7BrCl2O2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3
InChI Key:
CIHBWGLTADSHPC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Cl)c(c(c1)Br)Cl
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.901g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.957g/mol
Monoisotopic Mass:
295.901g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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