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1000342-33-5 | Benzoic acid, 3,5-dibromo-2-methyl-, methyl ester
CAS No: 1000342-33-5 Catalog No: AG0000IK MDL No:MFCD09749942
Product Description
Catalog Number:
AG0000IK
Chemical Name:
Benzoic acid, 3,5-dibromo-2-methyl-, methyl ester
CAS Number:
1000342-33-5
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD09749942
IUPAC Name:
methyl 3,5-dibromo-2-methylbenzoate
InChI:
InChI=1S/C9H8Br2O2/c1-5-7(9(12)13-2)3-6(10)4-8(5)11/h3-4H,1-2H3
InChI Key:
RLIDBXWVUOFGRL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1C)Br
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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