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Home > Nitro Compounds > 63885-30-3
63885-30-3 | 1,1,3-Tris(p-nitrophenyl)guanidine
CAS No: 63885-30-3 Catalog No: AG00F6A6 MDL No:
Product Description
Catalog Number:
AG00F6A6
Chemical Name:
1,1,3-Tris(p-nitrophenyl)guanidine
CAS Number:
63885-30-3
IUPAC Name:
1,1,2-tris(4-nitrophenyl)guanidine
InChI:
InChI=1S/C19H14N6O6/c20-19(21-13-1-3-16(4-2-13)23(26)27)22(14-5-9-17(10-6-14)24(28)29)15-7-11-18(12-8-15)25(30)31/h1-12H,(H2,20,21)
InChI Key:
INZPARAGSKYHAY-UHFFFAOYSA-N
Properties
Complexity:
644
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.097g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.357g/mol
Monoisotopic Mass:
422.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
179A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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