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Home > Bromides > 1820705-16-5
1820705-16-5 | Benzoic acid, 3-bromo-2,4-dichloro-, methyl ester
CAS No: 1820705-16-5 Catalog No: AG0023C8 MDL No:MFCD27935903
Product Description
Catalog Number:
AG0023C8
Chemical Name:
Benzoic acid, 3-bromo-2,4-dichloro-, methyl ester
CAS Number:
1820705-16-5
Molecular Formula:
C8H5BrCl2O2
Molecular Weight:
283.9341
MDL Number:
MFCD27935903
IUPAC Name:
methyl 3-bromo-2,4-dichlorobenzoate
InChI:
InChI=1S/C8H5BrCl2O2/c1-13-8(12)4-2-3-5(10)6(9)7(4)11/h2-3H,1H3
InChI Key:
ZIWOCRDNAABQFE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1Cl)Br)Cl
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.885g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.93g/mol
Monoisotopic Mass:
281.885g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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