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Home > Bromides > 1349716-04-6
1349716-04-6 | 4-Bromo-2,6-diethylbenzoic acid
CAS No: 1349716-04-6 Catalog No: AG01FEVG MDL No:MFCD18910105
Product Description
Catalog Number:
AG01FEVG
Chemical Name:
4-Bromo-2,6-diethylbenzoic acid
CAS Number:
1349716-04-6
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD18910105
IUPAC Name:
4-bromo-2,6-diethylbenzoic acid
InChI:
InChI=1S/C11H13BrO2/c1-3-7-5-9(12)6-8(4-2)10(7)11(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChI Key:
XPAXESMAIOZLJT-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)cc(c1C(=O)O)CC
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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