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Home > Bromides > 1228956-99-7
1228956-99-7 | Benzoic acid, 3-bromo-5-(2-methylpropoxy)-
CAS No: 1228956-99-7 Catalog No: AG000JQJ MDL No:MFCD16618943
Product Description
Catalog Number:
AG000JQJ
Chemical Name:
Benzoic acid, 3-bromo-5-(2-methylpropoxy)-
CAS Number:
1228956-99-7
Molecular Formula:
C11H13BrO3
Molecular Weight:
273.1231
MDL Number:
MFCD16618943
IUPAC Name:
3-bromo-5-(2-methylpropoxy)benzoic acid
InChI:
InChI=1S/C11H13BrO3/c1-7(2)6-15-10-4-8(11(13)14)3-9(12)5-10/h3-5,7H,6H2,1-2H3,(H,13,14)
InChI Key:
RSRVOTBVNZYOKD-UHFFFAOYSA-N
SMILES:
CC(COc1cc(Br)cc(c1)C(=O)O)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.126g/mol
Monoisotopic Mass:
272.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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