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24507-29-7 | Benzoic acid, 3-bromo-4-ethoxy-
CAS No: 24507-29-7 Catalog No: AG002ODM MDL No:MFCD01143606
Product Description
Catalog Number:
AG002ODM
Chemical Name:
Benzoic acid, 3-bromo-4-ethoxy-
CAS Number:
24507-29-7
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD01143606
IUPAC Name:
3-bromo-4-ethoxybenzoic acid
InChI:
InChI=1S/C9H9BrO3/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
XCKMWULLKHQZIP-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Br)C(=O)O
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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