200,000+ products from a single source!
sales@angenechem.com
138613-49-7 | Benzene, 1-(2-bromo-1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-
CAS No: 138613-49-7 Catalog No: AG0018VU MDL No:
Product Description
Catalog Number:
AG0018VU
Chemical Name:
Benzene, 1-(2-bromo-1,1-dimethylethyl)-3,5-dimethyl-2,4,6-trinitro-
CAS Number:
138613-49-7
Molecular Formula:
C12H14BrN3O6
Molecular Weight:
376.1601
IUPAC Name:
1-(1-bromo-2-methylpropan-2-yl)-3,5-dimethyl-2,4,6-trinitrobenzene
InChI:
InChI=1S/C12H14BrN3O6/c1-6-9(14(17)18)7(2)11(16(21)22)8(10(6)15(19)20)12(3,4)5-13/h5H2,1-4H3
InChI Key:
PDBGAUZBHNHKLC-UHFFFAOYSA-N
SMILES:
BrCC(c1c([N+](=O)[O-])c(C)c(c(c1[N+](=O)[O-])C)[N+](=O)[O-])(C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.007g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
376.163g/mol
Monoisotopic Mass:
375.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.