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91978-94-8 | Benzene, 2-(bromomethyl)-1-chloro-4-methyl-
CAS No: 91978-94-8 Catalog No: AG01FB4D MDL No:
Product Description
Catalog Number:
AG01FB4D
Chemical Name:
Benzene, 2-(bromomethyl)-1-chloro-4-methyl-
CAS Number:
91978-94-8
Molecular Formula:
C8H8BrCl
Molecular Weight:
219.5061
IUPAC Name:
2-(bromomethyl)-1-chloro-4-methylbenzene
InChI:
InChI=1S/C8H8BrCl/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,5H2,1H3
InChI Key:
POHFEJVKQQYINK-UHFFFAOYSA-N
SMILES:
BrCc1cc(C)ccc1Cl
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:
3.5
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