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27561-51-9 | Benzene, 1-bromo-4-(bromomethyl)-2-methyl-
CAS No: 27561-51-9 Catalog No: AG002U33 MDL No:MFCD09909629
Product Description
Catalog Number:
AG002U33
Chemical Name:
Benzene, 1-bromo-4-(bromomethyl)-2-methyl-
CAS Number:
27561-51-9
Molecular Formula:
C8H8Br2
Molecular Weight:
263.9571
MDL Number:
MFCD09909629
IUPAC Name:
1-bromo-4-(bromomethyl)-2-methylbenzene
InChI:
InChI=1S/C8H8Br2/c1-6-4-7(5-9)2-3-8(6)10/h2-4H,5H2,1H3
InChI Key:
CWOKZNRRLJXSAA-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)C)Br
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.897g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.96g/mol
Monoisotopic Mass:
261.899g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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