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Home > Nitro Compounds > 84647-88-1
84647-88-1 | 1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decanitro-
CAS No: 84647-88-1 Catalog No: AG004SZW MDL No:
Product Description
Catalog Number:
AG004SZW
Chemical Name:
1,1'-Biphenyl, 2,2',3,3',4,4',5,5',6,6'-decanitro-
CAS Number:
84647-88-1
Molecular Formula:
C12N10O20
Molecular Weight:
604.1834
IUPAC Name:
1,2,3,4,5-pentanitro-6-(2,3,4,5,6-pentanitrophenyl)benzene
InChI:
InChI=1S/C12N10O20/c23-13(24)3-1(4(14(25)26)8(18(33)34)11(21(39)40)7(3)17(31)32)2-5(15(27)28)9(19(35)36)12(22(41)42)10(20(37)38)6(2)16(29)30
InChI Key:
BOLMRKSMYRIFKC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(c2c([N+](=O)[O-])c([N+](=O)[O-])c(c(c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c([N+](=O)[O-])c(c(c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
1060
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
603.929g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
604.182g/mol
Monoisotopic Mass:
603.929g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
458A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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