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500536-40-3 | 1-bromo-2-chloro-4,5-dimethylbenzene
CAS No: 500536-40-3 Catalog No: AG01ANH1 MDL No:MFCD12922557
Product Description
Catalog Number:
AG01ANH1
Chemical Name:
1-bromo-2-chloro-4,5-dimethylbenzene
CAS Number:
500536-40-3
Molecular Formula:
C8H8BrCl
Molecular Weight:
219.5061
MDL Number:
MFCD12922557
IUPAC Name:
1-bromo-2-chloro-4,5-dimethylbenzene
InChI:
InChI=1S/C8H8BrCl/c1-5-3-7(9)8(10)4-6(5)2/h3-4H,1-2H3
InChI Key:
HHRBCSGJXSSZOH-UHFFFAOYSA-N
SMILES:
Cc1cc(Br)c(cc1C)Cl
NSC Number:
60052
Properties
Complexity:
116
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:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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