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99835-26-4 | 2-bromo-4,6-dichlorobenzonitrile
CAS No: 99835-26-4 Catalog No: AG01ELCS MDL No:
Product Description
Catalog Number:
AG01ELCS
Chemical Name:
2-bromo-4,6-dichlorobenzonitrile
CAS Number:
99835-26-4
Molecular Formula:
C7H2BrCl2N
Molecular Weight:
250.9075
IUPAC Name:
2-bromo-4,6-dichlorobenzonitrile
InChI:
InChI=1S/C7H2BrCl2N/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H
InChI Key:
YEYBWCZPVMFKKZ-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)cc(cc1Br)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.875g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.904g/mol
Monoisotopic Mass:
248.875g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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