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939990-01-9 | 3-Bromo-5-chloro-2-methylbenzonitrile
CAS No: 939990-01-9 Catalog No: AG01EZER MDL No:MFCD28396362
Product Description
Catalog Number:
AG01EZER
Chemical Name:
3-Bromo-5-chloro-2-methylbenzonitrile
CAS Number:
939990-01-9
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD28396362
IUPAC Name:
3-bromo-5-chloro-2-methylbenzonitrile
InChI:
InChI=1S/C8H5BrClN/c1-5-6(4-11)2-7(10)3-8(5)9/h2-3H,1H3
InChI Key:
XCGFALYBVXIJPF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)cc(c1C)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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