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Home > Bromides > 1349708-79-7
1349708-79-7 | 4-Bromo-2,6-diisopropylbenzonitrile
CAS No: 1349708-79-7 Catalog No: AG01FDVL MDL No:MFCD18917124
Product Description
Catalog Number:
AG01FDVL
Chemical Name:
4-Bromo-2,6-diisopropylbenzonitrile
CAS Number:
1349708-79-7
Molecular Formula:
C13H16BrN
Molecular Weight:
266.1768
MDL Number:
MFCD18917124
IUPAC Name:
4-bromo-2,6-di(propan-2-yl)benzonitrile
InChI:
InChI=1S/C13H16BrN/c1-8(2)11-5-10(14)6-12(9(3)4)13(11)7-15/h5-6,8-9H,1-4H3
InChI Key:
YPULLLUAICWTFT-UHFFFAOYSA-N
SMILES:
N#Cc1c(cc(cc1C(C)C)Br)C(C)C
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.182g/mol
Monoisotopic Mass:
265.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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