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Home Halogens Benzoic acid, 3-bromo-2-methoxy-4,5-dimethyl-

Benzoic acid, 3-bromo-2-methoxy-4,5-dimethyl-

CAS No.:
1245532-88-0
Catalog Number:
AG000M6S
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$844
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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  
Properties