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Home > Nitro Compounds > 1881328-85-3
1881328-85-3 | 2-(butylsulfanyl)-5-nitropyrimidine
CAS No: 1881328-85-3 Catalog No: AG00I2I0 MDL No:
Product Description
Catalog Number:
AG00I2I0
Chemical Name:
2-(butylsulfanyl)-5-nitropyrimidine
CAS Number:
1881328-85-3
IUPAC Name:
2-butylsulfanyl-5-nitropyrimidine
InChI:
InChI=1S/C8H11N3O2S/c1-2-3-4-14-8-9-5-7(6-10-8)11(12)13/h5-6H,2-4H2,1H3
InChI Key:
AYOATEJFRFALDW-UHFFFAOYSA-N
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.057g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.255g/mol
Monoisotopic Mass:
213.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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