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Home > Nitro Compounds > 622-69-5
622-69-5 | 1,5-BIS(4-NITROPHENYL)CARBOHYDRAZIDE
CAS No: 622-69-5 Catalog No: AG003DPS MDL No:MFCD00024592
Product Description
Catalog Number:
AG003DPS
Chemical Name:
1,5-BIS(4-NITROPHENYL)CARBOHYDRAZIDE
CAS Number:
622-69-5
Molecular Formula:
C13H12N6O5
Molecular Weight:
332.2716
MDL Number:
MFCD00024592
IUPAC Name:
1,3-bis(4-nitroanilino)urea
InChI:
InChI=1S/C13H12N6O5/c20-13(16-14-9-1-5-11(6-2-9)18(21)22)17-15-10-3-7-12(8-4-10)19(23)24/h1-8,14-15H,(H2,16,17,20)
InChI Key:
CEMQVKAEUMRRQJ-UHFFFAOYSA-N
SMILES:
O=C(NNc1ccc(cc1)[N+](=O)[O-])NNc1ccc(cc1)[N+](=O)[O-]
NSC Number:
525795
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.087g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
332.276g/mol
Monoisotopic Mass:
332.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
157A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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