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Home > Bromides > 1026089-09-7
1026089-09-7 | Benzeneacetic acid, 4-bromo-2-methoxy-
CAS No: 1026089-09-7 Catalog No: AG0007W7 MDL No:MFCD11847505
Product Description
Catalog Number:
AG0007W7
Chemical Name:
Benzeneacetic acid, 4-bromo-2-methoxy-
CAS Number:
1026089-09-7
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD11847505
IUPAC Name:
2-(4-bromo-2-methoxyphenyl)acetic acid
InChI:
InChI=1S/C9H9BrO3/c1-13-8-5-7(10)3-2-6(8)4-9(11)12/h2-3,5H,4H2,1H3,(H,11,12)
InChI Key:
RNRCAQYXOAHKGD-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1CC(=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
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