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147962-81-0 | Benzoic acid, 3-bromo-4-methyl-, ethyl ester
CAS No: 147962-81-0 Catalog No: AG001FC1 MDL No:MFCD11042852
Product Description
Catalog Number:
AG001FC1
Chemical Name:
Benzoic acid, 3-bromo-4-methyl-, ethyl ester
CAS Number:
147962-81-0
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD11042852
IUPAC Name:
ethyl 3-bromo-4-methylbenzoate
InChI:
InChI=1S/C10H11BrO2/c1-3-13-10(12)8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3
InChI Key:
ILZQYNXOOLMOGA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Br)C
Properties
Complexity:
182
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:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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