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Home > Nitro Compounds > 77442-23-0
77442-23-0 | 1H-Indazole, 1-(4-morpholinylmethyl)-5-nitro-
CAS No: 77442-23-0 Catalog No: AG005BAI MDL No:
Product Description
Catalog Number:
AG005BAI
Chemical Name:
1H-Indazole, 1-(4-morpholinylmethyl)-5-nitro-
CAS Number:
77442-23-0
Molecular Formula:
C12H14N4O3
Molecular Weight:
262.2646
IUPAC Name:
4-[(5-nitroindazol-1-yl)methyl]morpholine
InChI:
InChI=1S/C12H14N4O3/c17-16(18)11-1-2-12-10(7-11)8-13-15(12)9-14-3-5-19-6-4-14/h1-2,7-8H,3-6,9H2
InChI Key:
BDTBEZHLDDUFTA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cnn2CN1CCOCC1
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.107g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.269g/mol
Monoisotopic Mass:
262.107g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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