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31507-30-9 | Acetonitrile, (2-nitrophenoxy)-
CAS No: 31507-30-9 Catalog No: AG00I5YR MDL No:
Product Description
Catalog Number:
AG00I5YR
Chemical Name:
Acetonitrile, (2-nitrophenoxy)-
CAS Number:
31507-30-9
IUPAC Name:
2-(2-nitrophenoxy)acetonitrile
InChI:
InChI=1S/C8H6N2O3/c9-5-6-13-8-4-2-1-3-7(8)10(11)12/h1-4H,6H2
InChI Key:
OQJUIZUOQYDUMZ-UHFFFAOYSA-N
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.038g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.147g/mol
Monoisotopic Mass:
178.038g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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