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Home > Bromides > 1349717-59-4
1349717-59-4 | 4-Bromo-6-ethyl-2-methylbenzoic acid
CAS No: 1349717-59-4 Catalog No: AG01FDIG MDL No:MFCD18917121
Product Description
Catalog Number:
AG01FDIG
Chemical Name:
4-Bromo-6-ethyl-2-methylbenzoic acid
CAS Number:
1349717-59-4
Molecular Formula:
C10H11BrO2
Molecular Weight:
243.0971
MDL Number:
MFCD18917121
IUPAC Name:
4-bromo-2-ethyl-6-methylbenzoic acid
InChI:
InChI=1S/C10H11BrO2/c1-3-7-5-8(11)4-6(2)9(7)10(12)13/h4-5H,3H2,1-2H3,(H,12,13)
InChI Key:
ZTZKMTHOARMAGJ-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)cc(c1C(=O)O)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:
1
Isotope Atom Count:
0
Molecular Weight:
243.1g/mol
Monoisotopic Mass:
241.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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