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26496-95-7 | Benzoic acid, 4-(dibromomethyl)-, ethyl ester
CAS No: 26496-95-7 Catalog No: AG002TGT MDL No:
Product Description
Catalog Number:
AG002TGT
Chemical Name:
Benzoic acid, 4-(dibromomethyl)-, ethyl ester
CAS Number:
26496-95-7
Molecular Formula:
C10H10Br2O2
Molecular Weight:
321.9932
IUPAC Name:
ethyl 4-(dibromomethyl)benzoate
InChI:
InChI=1S/C10H10Br2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6,9H,2H2,1H3
InChI Key:
XIPPQQOPENWAKG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)C(Br)Br
NSC Number:
84210
Properties
Complexity:
187
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:
4.1
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