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15790-59-7 | Benzoic acid, 3,5-dibromo-2-methoxy-, methyl ester
CAS No: 15790-59-7 Catalog No: AG001PTF MDL No:MFCD00189410
Product Description
Catalog Number:
AG001PTF
Chemical Name:
Benzoic acid, 3,5-dibromo-2-methoxy-, methyl ester
CAS Number:
15790-59-7
Molecular Formula:
C9H8Br2O3
Molecular Weight:
323.9660
MDL Number:
MFCD00189410
IUPAC Name:
methyl 3,5-dibromo-2-methoxybenzoate
InChI:
InChI=1S/C9H8Br2O3/c1-13-8-6(9(12)14-2)3-5(10)4-7(8)11/h3-4H,1-2H3
InChI Key:
SVSGXLZYOXVPCG-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1OC)Br
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.882g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.968g/mol
Monoisotopic Mass:
321.884g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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