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Home > Nitro Compounds > 893434-93-0
893434-93-0 | 2-(methylsulfonyl)-4-(3-nitrobenzo[b]thien-2-yl)Pyrimidine
CAS No: 893434-93-0 Catalog No: AG00H4CO MDL No:
Product Description
Catalog Number:
AG00H4CO
Chemical Name:
2-(methylsulfonyl)-4-(3-nitrobenzo[b]thien-2-yl)Pyrimidine
CAS Number:
893434-93-0
IUPAC Name:
2-methylsulfonyl-4-(3-nitro-1-benzothiophen-2-yl)pyrimidine
InChI:
InChI=1S/C13H9N3O4S2/c1-22(19,20)13-14-7-6-9(15-13)12-11(16(17)18)8-4-2-3-5-10(8)21-12/h2-7H,1H3
InChI Key:
DDXNJZLKJKKAKZ-UHFFFAOYSA-N
Properties
Complexity:
530
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.003g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.352g/mol
Monoisotopic Mass:
335.003g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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