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74896-66-5 | Methyl 3,5-dibromo-4-methylbenzoate
CAS No: 74896-66-5 Catalog No: AG00356I MDL No:MFCD00010729
Product Description
Catalog Number:
AG00356I
Chemical Name:
Methyl 3,5-dibromo-4-methylbenzoate
CAS Number:
74896-66-5
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD00010729
IUPAC Name:
methyl 3,5-dibromo-4-methylbenzoate
InChI:
InChI=1S/C9H8Br2O2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3
InChI Key:
SRLAXDDPVYZYNI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(c(c1)Br)C
Properties
Complexity:
184
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
Literature
| Title | Journal |
|---|---|
| Methyl 3,5-dibromo-2-diacetyl-amino-benzoate. | Acta crystallographica. Section E, Structure reports online 20110901 |
| Methyl 3,5-dibromo-4-methyl-benzoate. | Acta crystallographica. Section E, Structure reports online 20100401 |
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