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51329-15-8

51329-15-8 | Methyl 3,5-dibromobenzoate

CAS No: 51329-15-8 Catalog No: AG003RQE MDL No:MFCD00082648

Product Description

Catalog Number:
AG003RQE
Chemical Name:
Methyl 3,5-dibromobenzoate
CAS Number:
51329-15-8
Molecular Formula:
C8H6Br2O2
Molecular Weight:
293.9400
MDL Number:
MFCD00082648
IUPAC Name:
methyl 3,5-dibromobenzoate
InChI:
InChI=1S/C8H6Br2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChI Key:
GSMAWUZTAIOCPL-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)cc(c1)Br
EC Number:
610-649-7

Properties

Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.871g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.942g/mol
Monoisotopic Mass:
291.873g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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