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Home > Bromides > 1027345-22-7
1027345-22-7 | Benzene, 1-[2-(bromomethyl)-4,4-dimethyl-1-cyclohexen-1-yl]-4-chloro-
CAS No: 1027345-22-7 Catalog No: AG00088M MDL No:MFCD17392811
Product Description
Catalog Number:
AG00088M
Chemical Name:
Benzene, 1-[2-(bromomethyl)-4,4-dimethyl-1-cyclohexen-1-yl]-4-chloro-
CAS Number:
1027345-22-7
Molecular Formula:
C15H18BrCl
Molecular Weight:
313.6604
MDL Number:
MFCD17392811
IUPAC Name:
1-[2-(bromomethyl)-4,4-dimethylcyclohexen-1-yl]-4-chlorobenzene
InChI:
InChI=1S/C15H18BrCl/c1-15(2)8-7-14(12(9-15)10-16)11-3-5-13(17)6-4-11/h3-6H,7-10H2,1-2H3
InChI Key:
XNGITAHSHNGSFS-UHFFFAOYSA-N
SMILES:
BrCC1=C(CCC(C1)(C)C)c1ccc(cc1)Cl
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.028g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.663g/mol
Monoisotopic Mass:
312.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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