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53960-83-1 | 4-(3-methyl-4-nitro-1H-pyrazol-5-yl)morpholine
CAS No: 53960-83-1 Catalog No: AG00J79L MDL No:MFCD00459267
Product Description
Catalog Number:
AG00J79L
Chemical Name:
4-(3-methyl-4-nitro-1H-pyrazol-5-yl)morpholine
CAS Number:
53960-83-1
Molecular Formula:
C8H12N4O3
Molecular Weight:
212.2059
MDL Number:
MFCD00459267
IUPAC Name:
4-(5-methyl-4-nitro-1H-pyrazol-3-yl)morpholine
InChI:
InChI=1S/C8H12N4O3/c1-6-7(12(13)14)8(10-9-6)11-2-4-15-5-3-11/h2-5H2,1H3,(H,9,10)
InChI Key:
KMXODOQVUCOXIQ-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(c1[N+](=O)[O-])N1CCOCC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.091g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.209g/mol
Monoisotopic Mass:
212.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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