200,000+ products from a single source!
sales@angenechem.com
123685-25-6 | Benzoic acid, 2-bromo-3,4-dihydroxy-5-methoxy-, methyl ester
CAS No: 123685-25-6 Catalog No: AG000KXI MDL No:
Product Description
Catalog Number:
AG000KXI
Chemical Name:
Benzoic acid, 2-bromo-3,4-dihydroxy-5-methoxy-, methyl ester
CAS Number:
123685-25-6
Molecular Formula:
C9H9BrO5
Molecular Weight:
277.0688
IUPAC Name:
methyl 2-bromo-3,4-dihydroxy-5-methoxybenzoate
InChI:
InChI=1S/C9H9BrO5/c1-14-5-3-4(9(13)15-2)6(10)8(12)7(5)11/h3,11-12H,1-2H3
InChI Key:
BKWQKJNQARMXHL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(c(c1Br)O)O
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.963g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.07g/mol
Monoisotopic Mass:
275.963g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.