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Home Halogens Methyl 3-bromo-4-methoxybenzoate

Methyl 3-bromo-4-methoxybenzoate

CAS No.:
35450-37-4
Catalog Number:
AG00BXNF
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$200
- +
100g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG00BXNF
Chemical Name:
Methyl 3-bromo-4-methoxybenzoate
CAS Number:
35450-37-4
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD00210463
IUPAC Name:
methyl 3-bromo-4-methoxybenzoate
InChI:
InChI=1S/C9H9BrO3/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5H,1-2H3
InChI Key:
ZREVPFANJBZHEU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Br)OC
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties