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88906-03-0 | Acetonitrile, bromodinitro-
CAS No: 88906-03-0 Catalog No: AG004917 MDL No:
Product Description
Catalog Number:
AG004917
Chemical Name:
Acetonitrile, bromodinitro-
CAS Number:
88906-03-0
Molecular Formula:
C2BrN3O4
Molecular Weight:
209.9431
IUPAC Name:
2-bromo-2,2-dinitroacetonitrile
InChI:
InChI=1S/C2BrN3O4/c3-2(1-4,5(7)8)6(9)10
InChI Key:
JNJNYAAZLZGSBP-UHFFFAOYSA-N
SMILES:
N#CC([N+](=O)[O-])([N+](=O)[O-])Br
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.907g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.943g/mol
Monoisotopic Mass:
208.907g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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