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842140-27-6 | 2-BROMO-3-(4-TERT-BUTYLPHENYL)-1-PROPENE
CAS No: 842140-27-6 Catalog No: AG008GN9 MDL No:
Product Description
Catalog Number:
AG008GN9
Chemical Name:
2-BROMO-3-(4-TERT-BUTYLPHENYL)-1-PROPENE
CAS Number:
842140-27-6
Molecular Formula:
C13H17Br
Molecular Weight:
253.1781
IUPAC Name:
1-(2-bromoprop-2-enyl)-4-tert-butylbenzene
InChI:
InChI=1S/C13H17Br/c1-10(14)9-11-5-7-12(8-6-11)13(2,3)4/h5-8H,1,9H2,2-4H3
InChI Key:
PBDHFPPZLPMVQN-UHFFFAOYSA-N
SMILES:
BrC(=C)Cc1ccc(cc1)C(C)(C)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.183g/mol
Monoisotopic Mass:
252.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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