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Home > Bromides > 1261875-19-7
1261875-19-7 | Benzonitrile, 2-bromo-5-(chloromethyl)-
CAS No: 1261875-19-7 Catalog No: AG000S3A MDL No:
Product Description
Catalog Number:
AG000S3A
Chemical Name:
Benzonitrile, 2-bromo-5-(chloromethyl)-
CAS Number:
1261875-19-7
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
IUPAC Name:
2-bromo-5-(chloromethyl)benzonitrile
InChI:
InChI=1S/C8H5BrClN/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4H2
InChI Key:
QXVMXRYBFKMQQT-UHFFFAOYSA-N
SMILES:
ClCc1ccc(c(c1)C#N)Br
Properties
Complexity:
174
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:
1
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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