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Home > Nitro Compounds > 1601-69-0
1601-69-0 | Cyanic acid, 4-methyl-2-nitrophenyl ester
CAS No: 1601-69-0 Catalog No: AG001ROR MDL No:
Product Description
Catalog Number:
AG001ROR
Chemical Name:
Cyanic acid, 4-methyl-2-nitrophenyl ester
CAS Number:
1601-69-0
Molecular Formula:
C8H6N2O3
Molecular Weight:
178.1448
IUPAC Name:
(4-methyl-2-nitrophenyl) cyanate
InChI:
InChI=1S/C8H6N2O3/c1-6-2-3-8(13-5-9)7(4-6)10(11)12/h2-4H,1H3
InChI Key:
OAJAZGMJSWBQFL-UHFFFAOYSA-N
SMILES:
N#COc1ccc(cc1[N+](=O)[O-])C
Properties
Complexity:
240
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:
1
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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