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1210047-30-5 | Ethyl 2-bromo-5-methylbenzoate
CAS No: 1210047-30-5 Catalog No: AG01FF08 MDL No:
Product Description
Catalog Number:
AG01FF08
Chemical Name:
Ethyl 2-bromo-5-methylbenzoate
CAS Number:
1210047-30-5
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
IUPAC Name:
ethyl 2-bromo-5-methylbenzoate
InChI:
InChI=1S/C10H11BrO2/c1-3-13-10(12)8-6-7(2)4-5-9(8)11/h4-6H,3H2,1-2H3
InChI Key:
NZBKEVGEFGDOBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(C)ccc1Br
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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