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188984-14-7 | Benzonitrile, 4-bromo-2,3,5,6-tetramethyl-
CAS No: 188984-14-7 Catalog No: AG002HMX MDL No:
Product Description
Catalog Number:
AG002HMX
Chemical Name:
Benzonitrile, 4-bromo-2,3,5,6-tetramethyl-
CAS Number:
188984-14-7
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
IUPAC Name:
4-bromo-2,3,5,6-tetramethylbenzonitrile
InChI:
InChI=1S/C11H12BrN/c1-6-8(3)11(12)9(4)7(2)10(6)5-13/h1-4H3
InChI Key:
WAMADLQGDGJCLT-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)c(C)c(c(c1C)C)Br
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.015g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.128g/mol
Monoisotopic Mass:
237.015g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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