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89407-43-2 | 4-Bromo-2-ethoxybenzoic acid
CAS No: 89407-43-2 Catalog No: AG004NDG MDL No:MFCD11651850
Product Description
Catalog Number:
AG004NDG
Chemical Name:
4-Bromo-2-ethoxybenzoic acid
CAS Number:
89407-43-2
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD11651850
IUPAC Name:
4-bromo-2-ethoxybenzoic acid
InChI:
InChI=1S/C9H9BrO3/c1-2-13-8-5-6(10)3-4-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
WNVOYJBTTPWDLA-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)ccc1C(=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:
2.4
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