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910036-93-0 | 2-BROMO-3-ISOCYANATOTHIOPHENE
CAS No: 910036-93-0 Catalog No: AG006FRE MDL No:
Product Description
Catalog Number:
AG006FRE
Chemical Name:
2-BROMO-3-ISOCYANATOTHIOPHENE
CAS Number:
910036-93-0
Molecular Formula:
C5H2BrNOS
Molecular Weight:
204.0445
IUPAC Name:
2-bromo-3-isocyanatothiophene
InChI:
InChI=1S/C5H2BrNOS/c6-5-4(7-3-8)1-2-9-5/h1-2H
InChI Key:
YGLBKFFMFXAOHB-UHFFFAOYSA-N
SMILES:
Brc1sccc1N=C=O
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
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