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Home > Nitro Compounds > 669757-38-4
669757-38-4 | 1,2-dimethyl-4-(4-nitrophenyl)-1,2,4-triazolidine-3,5-dione
CAS No: 669757-38-4 Catalog No: AG00JH27 MDL No:MFCD03855746
Product Description
Catalog Number:
AG00JH27
Chemical Name:
1,2-dimethyl-4-(4-nitrophenyl)-1,2,4-triazolidine-3,5-dione
CAS Number:
669757-38-4
Molecular Formula:
C10H10N4O4
Molecular Weight:
250.2108
MDL Number:
MFCD03855746
IUPAC Name:
1,2-dimethyl-4-(4-nitrophenyl)-1,2,4-triazolidine-3,5-dione
InChI:
InChI=1S/C10H10N4O4/c1-11-9(15)13(10(16)12(11)2)7-3-5-8(6-4-7)14(17)18/h3-6H,1-2H3
InChI Key:
UZSFDHCVDQTTID-UHFFFAOYSA-N
SMILES:
O=c1n(c2ccc(cc2)[N+](=O)[O-])c(=O)n(n1C)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.214g/mol
Monoisotopic Mass:
250.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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