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16281-94-0 | 4-BROMOMETHYL-ISOPHTHALIC ACID DIMETHYL ESTER
CAS No: 16281-94-0 Catalog No: AG001TFQ MDL No:MFCD09878874
Product Description
Catalog Number:
AG001TFQ
Chemical Name:
4-BROMOMETHYL-ISOPHTHALIC ACID DIMETHYL ESTER
CAS Number:
16281-94-0
Molecular Formula:
C11H11BrO4
Molecular Weight:
287.1066
MDL Number:
MFCD09878874
IUPAC Name:
dimethyl 4-(bromomethyl)benzene-1,3-dicarboxylate
InChI:
InChI=1S/C11H11BrO4/c1-15-10(13)7-3-4-8(6-12)9(5-7)11(14)16-2/h3-5H,6H2,1-2H3
InChI Key:
ANRZBUXUDASAAN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)C(=O)OC)CBr
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.984g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.109g/mol
Monoisotopic Mass:
285.984g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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