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647037-49-8 | Benzene, 4-(bromomethyl)-2-chloro-1-methyl-
CAS No: 647037-49-8 Catalog No: AG01FB3R MDL No:
Product Description
Catalog Number:
AG01FB3R
Chemical Name:
Benzene, 4-(bromomethyl)-2-chloro-1-methyl-
CAS Number:
647037-49-8
Molecular Formula:
C8H8BrCl
Molecular Weight:
219.5061
IUPAC Name:
4-(bromomethyl)-2-chloro-1-methylbenzene
InChI:
InChI=1S/C8H8BrCl/c1-6-2-3-7(5-9)4-8(6)10/h2-4H,5H2,1H3
InChI Key:
UUSSRNTYMIAEKD-UHFFFAOYSA-N
SMILES:
BrCc1ccc(c(c1)Cl)C
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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