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Home > Bromides > 1349717-77-6
1349717-77-6 | 4-Bromo-6-ethyl-2-methylbenzonitrile
CAS No: 1349717-77-6 Catalog No: AG01FDIH MDL No:MFCD18917120
Product Description
Catalog Number:
AG01FDIH
Chemical Name:
4-Bromo-6-ethyl-2-methylbenzonitrile
CAS Number:
1349717-77-6
Molecular Formula:
C10H10BrN
Molecular Weight:
224.0971
MDL Number:
MFCD18917120
IUPAC Name:
4-bromo-2-ethyl-6-methylbenzonitrile
InChI:
InChI=1S/C10H10BrN/c1-3-8-5-9(11)4-7(2)10(8)6-12/h4-5H,3H2,1-2H3
InChI Key:
ZKNWZJQAKRBWLE-UHFFFAOYSA-N
SMILES:
CCc1cc(Br)cc(c1C#N)C
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.101g/mol
Monoisotopic Mass:
223g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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