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157866-05-2 | Benzene, 1,3-dibromo-5-(dimethoxymethyl)-
CAS No: 157866-05-2 Catalog No: AG001PRV MDL No:
Product Description
Catalog Number:
AG001PRV
Chemical Name:
Benzene, 1,3-dibromo-5-(dimethoxymethyl)-
CAS Number:
157866-05-2
Molecular Formula:
C9H10Br2O2
Molecular Weight:
309.9825
IUPAC Name:
1,3-dibromo-5-(dimethoxymethyl)benzene
InChI:
InChI=1S/C9H10Br2O2/c1-12-9(13-2)6-3-7(10)5-8(11)4-6/h3-5,9H,1-2H3
InChI Key:
QONDTXWLYJSIIB-UHFFFAOYSA-N
SMILES:
COC(c1cc(Br)cc(c1)Br)OC
EC Number:
605-111-3
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.903g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.985g/mol
Monoisotopic Mass:
307.905g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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