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88380-74-9 | Acetamide, N-[2-(dimethylamino)-5-[(4-nitrophenyl)azo]-4-pyrimidinyl]-
CAS No: 88380-74-9 Catalog No: AG004FRF MDL No:
Product Description
Catalog Number:
AG004FRF
Chemical Name:
Acetamide, N-[2-(dimethylamino)-5-[(4-nitrophenyl)azo]-4-pyrimidinyl]-
CAS Number:
88380-74-9
Molecular Formula:
C14H15N7O3
Molecular Weight:
329.3140
IUPAC Name:
N-[2-(dimethylamino)-5-[(4-nitrophenyl)diazenyl]pyrimidin-4-yl]acetamide
InChI:
InChI=1S/C14H15N7O3/c1-9(22)16-13-12(8-15-14(17-13)20(2)3)19-18-10-4-6-11(7-5-10)21(23)24/h4-8H,1-3H3,(H,15,16,17,22)
InChI Key:
ZCEHCFZNOPDVSW-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nc(ncc1N=Nc1ccc(cc1)[N+](=O)[O-])N(C)C
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.124g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.32g/mol
Monoisotopic Mass:
329.124g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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