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27644-98-0 | Benzene, 2-(3-bromopropyl)-1,3,5-trimethyl-
CAS No: 27644-98-0 Catalog No: AG002UAT MDL No:
Product Description
Catalog Number:
AG002UAT
Chemical Name:
Benzene, 2-(3-bromopropyl)-1,3,5-trimethyl-
CAS Number:
27644-98-0
Molecular Formula:
C12H17Br
Molecular Weight:
241.1674
IUPAC Name:
2-(3-bromopropyl)-1,3,5-trimethylbenzene
InChI:
InChI=1S/C12H17Br/c1-9-7-10(2)12(5-4-6-13)11(3)8-9/h7-8H,4-6H2,1-3H3
InChI Key:
BKWFBGNOOJIZAK-UHFFFAOYSA-N
SMILES:
BrCCCc1c(C)cc(cc1C)C
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.172g/mol
Monoisotopic Mass:
240.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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