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Home > Bromides > 1805594-38-0
1805594-38-0 | methyl 2-bromo-3,4-dimethylbenzoate
CAS No: 1805594-38-0 Catalog No: AG01ELFI MDL No:MFCD28738478
Product Description
Catalog Number:
AG01ELFI
Chemical Name:
methyl 2-bromo-3,4-dimethylbenzoate
CAS Number:
1805594-38-0
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD28738478
IUPAC Name:
methyl 2-bromo-3,4-dimethylbenzoate
InChI:
InChI=1S/C10H11BrO2/c1-6-4-5-8(10(12)13-3)9(11)7(6)2/h4-5H,1-3H3
InChI Key:
DNUFRSWMGHFSJQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1Br)C)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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