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630-72-8 | trinitroacetonitrile
CAS No: 630-72-8 Catalog No: AG00F343 MDL No:
Product Description
Catalog Number:
AG00F343
Chemical Name:
trinitroacetonitrile
CAS Number:
630-72-8
IUPAC Name:
2,2,2-trinitroacetonitrile
InChI:
InChI=1S/C2N4O6/c3-1-2(4(7)8,5(9)10)6(11)12
InChI Key:
CPHSXUIZSJHWLU-UHFFFAOYSA-N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.982g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.044g/mol
Monoisotopic Mass:
175.982g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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