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Home > Bromides > 1200131-07-2
1200131-07-2 | Benzonitrile, 4-bromo-2,6-diethyl-
CAS No: 1200131-07-2 Catalog No: AG000Q2G MDL No:MFCD18917122
Product Description
Catalog Number:
AG000Q2G
Chemical Name:
Benzonitrile, 4-bromo-2,6-diethyl-
CAS Number:
1200131-07-2
Molecular Formula:
C11H12BrN
Molecular Weight:
238.1237
MDL Number:
MFCD18917122
IUPAC Name:
4-bromo-2,6-diethylbenzonitrile
InChI:
InChI=1S/C11H12BrN/c1-3-8-5-10(12)6-9(4-2)11(8)7-13/h5-6H,3-4H2,1-2H3
InChI Key:
IAMOUWSOUQOSDV-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)cc(c1C#N)CC
Properties
Complexity:
191
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:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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