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Home > Nitro Compounds > 80776-30-3
80776-30-3 | N-(9-ETHYL-4,6-DINITRO-CARBAZOL-3-YL)ACETAMIDE
CAS No: 80776-30-3 Catalog No: AG00583O MDL No:
Product Description
Catalog Number:
AG00583O
Chemical Name:
N-(9-ETHYL-4,6-DINITRO-CARBAZOL-3-YL)ACETAMIDE
CAS Number:
80776-30-3
Molecular Formula:
C16H14N4O5
Molecular Weight:
342.3062
IUPAC Name:
N-(9-ethyl-4,6-dinitrocarbazol-3-yl)acetamide
InChI:
InChI=1S/C16H14N4O5/c1-3-18-13-6-4-10(19(22)23)8-11(13)15-14(18)7-5-12(17-9(2)21)16(15)20(24)25/h4-8H,3H2,1-2H3,(H,17,21)
InChI Key:
INRQRKBWLMPNIA-UHFFFAOYSA-N
SMILES:
CCn1c2ccc(c(c2c2c1ccc(c2)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
NSC Number:
340548
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
342.311g/mol
Monoisotopic Mass:
342.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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