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76008-76-9 | Ethyl 2,5-dibromobenzoate
CAS No: 76008-76-9 Catalog No: AG01FFIU MDL No:MFCD14698210
Product Description
Catalog Number:
AG01FFIU
Chemical Name:
Ethyl 2,5-dibromobenzoate
CAS Number:
76008-76-9
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD14698210
IUPAC Name:
ethyl 2,5-dibromobenzoate
InChI:
InChI=1S/C9H8Br2O2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3
InChI Key:
AHGDJZPDLGRXDV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)ccc1Br
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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