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1261826-04-3 | Benzoic acid, 3-bromo-5-(bromomethyl)-, ethyl ester
CAS No: 1261826-04-3 Catalog No: AG000S22 MDL No:
Product Description
Catalog Number:
AG000S22
Chemical Name:
Benzoic acid, 3-bromo-5-(bromomethyl)-, ethyl ester
CAS Number:
1261826-04-3
Molecular Formula:
C10H10Br2O2
Molecular Weight:
321.9932
IUPAC Name:
ethyl 3-bromo-5-(bromomethyl)benzoate
InChI:
InChI=1S/C10H10Br2O2/c1-2-14-10(13)8-3-7(6-11)4-9(12)5-8/h3-5H,2,6H2,1H3
InChI Key:
PEFKCLDQEMQQFT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)cc(c1)CBr
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.903g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.996g/mol
Monoisotopic Mass:
319.905g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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