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155694-83-0 | Benzoic acid, 2-bromo-3-methyl-, ethyl ester
CAS No: 155694-83-0 Catalog No: AG001O3X MDL No:MFCD07780719
Product Description
Catalog Number:
AG001O3X
Chemical Name:
Benzoic acid, 2-bromo-3-methyl-, ethyl ester
CAS Number:
155694-83-0
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD07780719
IUPAC Name:
ethyl 2-bromo-3-methylbenzoate
InChI:
InChI=1S/C10H11BrO2/c1-3-13-10(12)8-6-4-5-7(2)9(8)11/h4-6H,3H2,1-2H3
InChI Key:
JLUNFGZPWZBSLB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1Br)C
EC Number:
605-023-5
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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