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Home > Nitro Compounds > 1118787-28-2
1118787-28-2 | 2-{[(2-nitrophenyl)methyl]sulfanyl}pyrimidine
CAS No: 1118787-28-2 Catalog No: AG019URQ MDL No:MFCD11857929
Product Description
Catalog Number:
AG019URQ
Chemical Name:
2-{[(2-nitrophenyl)methyl]sulfanyl}pyrimidine
CAS Number:
1118787-28-2
Molecular Formula:
C11H9N3O2S
Molecular Weight:
247.2731
MDL Number:
MFCD11857929
IUPAC Name:
2-[(2-nitrophenyl)methylsulfanyl]pyrimidine
InChI:
InChI=1S/C11H9N3O2S/c15-14(16)10-5-2-1-4-9(10)8-17-11-12-6-3-7-13-11/h1-7H,8H2
InChI Key:
MVQYJUAXCDRZSW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1CSc1ncccn1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.042g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.272g/mol
Monoisotopic Mass:
247.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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