Home Halogens methyl 3-bromo-5-chloro-4-hydroxybenzoate

methyl 3-bromo-5-chloro-4-hydroxybenzoate

CAS No.:
107356-01-4
Catalog Number:
AG01BR1W
Molecular Formula:
C8H6BrClO3
Molecular Weight:
265.4884
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Product Description
Catalog Number:
AG01BR1W
Chemical Name:
methyl 3-bromo-5-chloro-4-hydroxybenzoate
CAS Number:
107356-01-4
Molecular Formula:
C8H6BrClO3
Molecular Weight:
265.4884
MDL Number:
MFCD25955178
IUPAC Name:
methyl 3-bromo-5-chloro-4-hydroxybenzoate
InChI:
InChI=1S/C8H6BrClO3/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3,11H,1H3
InChI Key:
VWBVKTLKVPLPTE-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(c(c1)Br)O
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.919g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
265.487g/mol
Monoisotopic Mass:
263.919g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties