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149104-97-2 | Benzene, 1-bromo-4-(chloromethyl)-2-methyl-
CAS No: 149104-97-2 Catalog No: AG001LDY MDL No:MFCD11110175
Product Description
Catalog Number:
AG001LDY
Chemical Name:
Benzene, 1-bromo-4-(chloromethyl)-2-methyl-
CAS Number:
149104-97-2
Molecular Formula:
C8H8BrCl
Molecular Weight:
219.5061
MDL Number:
MFCD11110175
IUPAC Name:
1-bromo-4-(chloromethyl)-2-methylbenzene
InChI:
InChI=1S/C8H8BrCl/c1-6-4-7(5-10)2-3-8(6)9/h2-4H,5H2,1H3
InChI Key:
GHIUFUSYLQYGNS-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1)C)Br
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.95g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.506g/mol
Monoisotopic Mass:
217.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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