Home Halogens Dimethyl 2-bromoisophthalate

Dimethyl 2-bromoisophthalate

CAS No.:
39622-80-5
Catalog Number:
AG0039DQ
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
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Product Description
Catalog Number:
AG0039DQ
Chemical Name:
Dimethyl 2-bromoisophthalate
CAS Number:
39622-80-5
Molecular Formula:
C10H9BrO4
Molecular Weight:
273.0801
MDL Number:
MFCD17169956
IUPAC Name:
dimethyl 2-bromobenzene-1,3-dicarboxylate
InChI:
InChI=1S/C10H9BrO4/c1-14-9(12)6-4-3-5-7(8(6)11)10(13)15-2/h3-5H,1-2H3
InChI Key:
GHPOMFOMBISJGM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1Br)C(=O)OC
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.968g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.082g/mol
Monoisotopic Mass:
271.968g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties