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Home > Bromides > 1245532-88-0
1245532-88-0 | Benzoic acid, 3-bromo-2-methoxy-4,5-dimethyl-
CAS No: 1245532-88-0 Catalog No: AG000M6S MDL No:MFCD17167896
Product Description
Catalog Number:
AG000M6S
Chemical Name:
Benzoic acid, 3-bromo-2-methoxy-4,5-dimethyl-
CAS Number:
1245532-88-0
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD17167896
IUPAC Name:
3-bromo-2-methoxy-4,5-dimethylbenzoic acid
InChI:
InChI=1S/C10H11BrO3/c1-5-4-7(10(12)13)9(14-3)8(11)6(5)2/h4H,1-3H3,(H,12,13)
InChI Key:
ZOFXLYROINAVAZ-UHFFFAOYSA-N
SMILES:
COc1c(cc(c(c1Br)C)C)C(=O)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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