Home Halogens methyl 3-bromo-4,5-dimethoxybenzoate

methyl 3-bromo-4,5-dimethoxybenzoate

CAS No.:
50772-79-7
Catalog Number:
AG01B8AR
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
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Product Description
Catalog Number:
AG01B8AR
Chemical Name:
methyl 3-bromo-4,5-dimethoxybenzoate
CAS Number:
50772-79-7
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
MDL Number:
MFCD06203834
IUPAC Name:
methyl 3-bromo-4,5-dimethoxybenzoate
InChI:
InChI=1S/C10H11BrO4/c1-13-8-5-6(10(12)15-3)4-7(11)9(8)14-2/h4-5H,1-3H3
InChI Key:
DADVORCKTZOFMJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(c(c1)Br)OC
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.984g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.098g/mol
Monoisotopic Mass:
273.984g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties