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57381-37-0 | 2-Bromo-5-chlorobenzonitrile
CAS No: 57381-37-0 Catalog No: AG003GPE MDL No:MFCD08445660
Product Description
Catalog Number:
AG003GPE
Chemical Name:
2-Bromo-5-chlorobenzonitrile
CAS Number:
57381-37-0
Molecular Formula:
C7H3BrClN
Molecular Weight:
216.4624
MDL Number:
MFCD08445660
IUPAC Name:
2-bromo-5-chlorobenzonitrile
InChI:
InChI=1S/C7H3BrClN/c8-7-2-1-6(9)3-5(7)4-10/h1-3H
InChI Key:
CTSHRMBLMKPDAG-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1Br
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.914g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.462g/mol
Monoisotopic Mass:
214.914g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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