200,000+ products from a single source!
sales@angenechem.com
121936-68-3 | Benzoic acid, 2-bromo-5-hydroxy-4-methoxy-
CAS No: 121936-68-3 Catalog No: AG0016G0 MDL No:MFCD16659606
Product Description
Catalog Number:
AG0016G0
Chemical Name:
Benzoic acid, 2-bromo-5-hydroxy-4-methoxy-
CAS Number:
121936-68-3
Molecular Formula:
C8H7BrO4
Molecular Weight:
247.0428
MDL Number:
MFCD16659606
IUPAC Name:
2-bromo-5-hydroxy-4-methoxybenzoic acid
InChI:
InChI=1S/C8H7BrO4/c1-13-7-3-5(9)4(8(11)12)2-6(7)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
QOHWIPQTBHQOQW-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1O)C(=O)O
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.044g/mol
Monoisotopic Mass:
245.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.