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951893-14-4 | 2-Bromo-3-(4-tert-butyl-2,6-dimethylphenyl)-1-propene
CAS No: 951893-14-4 Catalog No: AG01F02F MDL No:
Product Description
Catalog Number:
AG01F02F
Chemical Name:
2-Bromo-3-(4-tert-butyl-2,6-dimethylphenyl)-1-propene
CAS Number:
951893-14-4
Molecular Formula:
C15H21Br
Molecular Weight:
281.2312
IUPAC Name:
2-(2-bromoprop-2-enyl)-5-tert-butyl-1,3-dimethylbenzene
InChI:
InChI=1S/C15H21Br/c1-10-7-13(15(4,5)6)8-11(2)14(10)9-12(3)16/h7-8H,3,9H2,1-2,4-6H3
InChI Key:
DBNCEKXZURELHD-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1c(C)cc(cc1C)C(C)(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.237g/mol
Monoisotopic Mass:
280.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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