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Home > Nitro Compounds > 30910-44-2
30910-44-2 | Benzene, 1,2,3,4,5,6-hexamethyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS No: 30910-44-2 Catalog No: AG0031NA MDL No:
Product Description
Catalog Number:
AG0031NA
Chemical Name:
Benzene, 1,2,3,4,5,6-hexamethyl-, compd. with 2,4,6-trinitrophenol (1:1)
CAS Number:
30910-44-2
Molecular Formula:
C18H21N3O7
Molecular Weight:
391.3752
IUPAC Name:
1,2,3,4,5,6-hexamethylbenzene;2,4,6-trinitrophenol
InChI:
InChI=1S/C12H18.C6H3N3O7/c1-7-8(2)10(4)12(6)11(5)9(7)3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h1-6H3;1-2,10H
InChI Key:
ZMIATGOFJNUCHP-UHFFFAOYSA-N
SMILES:
Cc1c(C)c(C)c(c(c1C)C)C.[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.138g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
391.38g/mol
Monoisotopic Mass:
391.138g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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