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81428-21-9 | TRIBROMOMETHYL ISOCYANATE
CAS No: 81428-21-9 Catalog No: AG005KKB MDL No:
Product Description
Catalog Number:
AG005KKB
Chemical Name:
TRIBROMOMETHYL ISOCYANATE
CAS Number:
81428-21-9
Molecular Formula:
C2Br3NO
Molecular Weight:
293.7395
IUPAC Name:
tribromo(isocyanato)methane
InChI:
InChI=1S/C2Br3NO/c3-2(4,5)6-1-7
InChI Key:
WZQAICIGTVNLNH-UHFFFAOYSA-N
SMILES:
O=C=NC(Br)(Br)Br
Properties
Complexity:
100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.751g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.74g/mol
Monoisotopic Mass:
290.753g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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