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113567-69-4 | Carbamic acid, (2-chloro-1-oxido-4-pyridinyl)-, phenyl ester (9CI)
CAS No: 113567-69-4 Catalog No: AG00090M MDL No:
Product Description
Catalog Number:
AG00090M
Chemical Name:
Carbamic acid, (2-chloro-1-oxido-4-pyridinyl)-, phenyl ester (9CI)
CAS Number:
113567-69-4
Molecular Formula:
C12H9ClN2O3
Molecular Weight:
264.6645
IUPAC Name:
2-chloro-N-phenoxycarbonylpyridin-4-amine oxide
InChI:
InChI=1S/C12H9ClN2O3/c13-11-8-9(6-7-14-11)15(17)12(16)18-10-4-2-1-3-5-10/h1-8,15H
InChI Key:
JBTSPOGEJCNBJT-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)Nc1cc[n+](c(c1)Cl)[O-]
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.665g/mol
Monoisotopic Mass:
264.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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