Home Halogens 3-bromo-2-isocyanatothiophene

3-bromo-2-isocyanatothiophene

CAS No.:
76537-10-5
Catalog Number:
AG01C14U
Molecular Formula:
C5H2BrNOS
Molecular Weight:
204.0445
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Product Description
Catalog Number:
AG01C14U
Chemical Name:
3-bromo-2-isocyanatothiophene
CAS Number:
76537-10-5
Molecular Formula:
C5H2BrNOS
Molecular Weight:
204.0445
MDL Number:
MFCD18888237
IUPAC Name:
3-bromo-2-isocyanatothiophene
InChI:
InChI=1S/C5H2BrNOS/c6-4-1-2-9-5(4)7-3-8/h1-2H
InChI Key:
YVODABAZTQBYTO-UHFFFAOYSA-N
SMILES:
O=C=Nc1sccc1Br
Properties
Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.904g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.041g/mol
Monoisotopic Mass:
202.904g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties