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Home > Bromides > 1214375-69-5
1214375-69-5 | Benzoic acid, 2,6-dibromo-, ethyl ester
CAS No: 1214375-69-5 Catalog No: AG0014X3 MDL No:MFCD11616905
Product Description
Catalog Number:
AG0014X3
Chemical Name:
Benzoic acid, 2,6-dibromo-, ethyl ester
CAS Number:
1214375-69-5
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD11616905
IUPAC Name:
ethyl 2,6-dibromobenzoate
InChI:
InChI=1S/C9H8Br2O2/c1-2-13-9(12)8-6(10)4-3-5-7(8)11/h3-5H,2H2,1H3
InChI Key:
AEBVQYCWIHYSEA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Br)cccc1Br
Properties
Complexity:
175
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:
4.3
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