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25181-66-2 | Acetic acid, 2-(2-bromo-4-methylphenoxy)-
CAS No: 25181-66-2 Catalog No: AG002QSL MDL No:MFCD00029787
Product Description
Catalog Number:
AG002QSL
Chemical Name:
Acetic acid, 2-(2-bromo-4-methylphenoxy)-
CAS Number:
25181-66-2
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD00029787
IUPAC Name:
2-(2-bromo-4-methylphenoxy)acetic acid
InChI:
InChI=1S/C9H9BrO3/c1-6-2-3-8(7(10)4-6)13-5-9(11)12/h2-4H,5H2,1H3,(H,11,12)
InChI Key:
SIAQBSDQFZWINQ-UHFFFAOYSA-N
SMILES:
OC(=O)COc1ccc(cc1Br)C
NSC Number:
338417
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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