Home Halogens [(4-amino-2-bromo-5-chlorophenyl)sulfanyl]formonitrile

[(4-amino-2-bromo-5-chlorophenyl)sulfanyl]formonitrile

CAS No.:
1909326-34-6
Catalog Number:
AG01C1P7
Molecular Formula:
C7H4BrClN2S
Molecular Weight:
263.5421
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Product Description
Catalog Number:
AG01C1P7
Chemical Name:
[(4-amino-2-bromo-5-chlorophenyl)sulfanyl]formonitrile
CAS Number:
1909326-34-6
Molecular Formula:
C7H4BrClN2S
Molecular Weight:
263.5421
MDL Number:
MFCD29047394
IUPAC Name:
(4-amino-2-bromo-5-chlorophenyl) thiocyanate
InChI:
InChI=1S/C7H4BrClN2S/c8-4-1-6(11)5(9)2-7(4)12-3-10/h1-2H,11H2
InChI Key:
UYLLIOQJNIEGMV-UHFFFAOYSA-N
SMILES:
N#CSc1cc(Cl)c(cc1Br)N
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.897g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.537g/mol
Monoisotopic Mass:
261.897g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties