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Home > Nitro Compounds > 1639350-77-8
1639350-77-8 | 4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
CAS No: 1639350-77-8 Catalog No: AG00HZ2G MDL No:MFCD29059800
Product Description
Catalog Number:
AG00HZ2G
Chemical Name:
4-(4-Nitro-1H-pyrazol-1-yl)tetrahydro-2H-thiopyran 1,1-dioxide
CAS Number:
1639350-77-8
MDL Number:
MFCD29059800
IUPAC Name:
4-(4-nitropyrazol-1-yl)thiane 1,1-dioxide
InChI:
InChI=1S/C8H11N3O4S/c12-11(13)8-5-9-10(6-8)7-1-3-16(14,15)4-2-7/h5-7H,1-4H2
InChI Key:
WHPNXSNFKAVLJP-UHFFFAOYSA-N
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.253g/mol
Monoisotopic Mass:
245.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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