Home Carbonyls 2-Bromo-6-(methoxycarbonyl)benzoic acid

2-Bromo-6-(methoxycarbonyl)benzoic acid

CAS No.:
912457-18-2
Catalog Number:
AG00IGJY
Molecular Formula:
C9H7BrO4
Molecular Weight:
259.0535
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$375
- +
5g
98%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG00IGJY
Chemical Name:
2-Bromo-6-(methoxycarbonyl)benzoic acid
CAS Number:
912457-18-2
Molecular Formula:
C9H7BrO4
Molecular Weight:
259.0535
MDL Number:
MFCD22490791
IUPAC Name:
2-bromo-6-methoxycarbonylbenzoic acid
InChI:
InChI=1S/C9H7BrO4/c1-14-9(13)5-3-2-4-6(10)7(5)8(11)12/h2-4H,1H3,(H,11,12)
InChI Key:
RVJZCJPXZZKUNU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1C(=O)O)Br
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.953g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
259.055g/mol
Monoisotopic Mass:
257.953g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties