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Home > Nitro Compounds > 298218-02-7
298218-02-7 | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CAS No: 298218-02-7 Catalog No: AG00IWTU MDL No:MFCD00818915
Product Description
Catalog Number:
AG00IWTU
Chemical Name:
2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide
CAS Number:
298218-02-7
Molecular Formula:
C14H14N4O3S
Molecular Weight:
318.3510
MDL Number:
MFCD00818915
IUPAC Name:
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(3-nitrophenyl)acetamide
InChI:
InChI=1S/C14H14N4O3S/c1-9-6-10(2)16-14(15-9)22-8-13(19)17-11-4-3-5-12(7-11)18(20)21/h3-7H,8H2,1-2H3,(H,17,19)
InChI Key:
VYSKBXGIMJYMOB-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nc(C)cc(n1)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.079g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.351g/mol
Monoisotopic Mass:
318.079g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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