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19991-05-0 | Benzene, 3-(2-bromoethyl)-1,2,4,5-tetramethyl-
CAS No: 19991-05-0 Catalog No: AG002CFV MDL No:
Product Description
Catalog Number:
AG002CFV
Chemical Name:
Benzene, 3-(2-bromoethyl)-1,2,4,5-tetramethyl-
CAS Number:
19991-05-0
Molecular Formula:
C12H17Br
Molecular Weight:
241.1674
IUPAC Name:
3-(2-bromoethyl)-1,2,4,5-tetramethylbenzene
InChI:
InChI=1S/C12H17Br/c1-8-7-9(2)11(4)12(5-6-13)10(8)3/h7H,5-6H2,1-4H3
InChI Key:
BWIHQEXLCPLRQN-UHFFFAOYSA-N
SMILES:
BrCCc1c(C)c(C)cc(c1C)C
Properties
Complexity:
141
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:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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