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Home > Bromides > 1416351-73-9
1416351-73-9 | 4-Bromo-3-chloro-5-methylbenzonitrile
CAS No: 1416351-73-9 Catalog No: AG01FD3S MDL No:MFCD22566290
Product Description
Catalog Number:
AG01FD3S
Chemical Name:
4-Bromo-3-chloro-5-methylbenzonitrile
CAS Number:
1416351-73-9
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD22566290
IUPAC Name:
4-bromo-3-chloro-5-methylbenzonitrile
InChI:
InChI=1S/C8H5BrClN/c1-5-2-6(4-11)3-7(10)8(5)9/h2-3H,1H3
InChI Key:
NEVBDDIQAFVQBW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)Cl)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.929g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.489g/mol
Monoisotopic Mass:
228.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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