Name: Name:Benzene,1,5-bis(1-methylethyl)-2,4-dinitro-
Brand: Angene
SKU: AG008NJ4
Rating: 90 (10 reviews)

Benzene,1,5-bis(1-methylethyl)-2,4-dinitro-

CAS No.:

77256-78-1

Catalog Number:

AG008NJ4

Molecular Formula:

C12H16N2O4

Molecular Weight:

252.2664

Catalog Number:

AG008NJ4

Chemical Name:

Benzene,1,5-bis(1-methylethyl)-2,4-dinitro-

CAS Number:

77256-78-1

Molecular Formula:

C12H16N2O4

Molecular Weight:

252.2664

MDL Number:

MFCD07779257

IUPAC Name:

1,5-dinitro-2,4-di(propan-2-yl)benzene

InChI:

InChI=1S/C12H16N2O4/c1-7(2)9-5-10(8(3)4)12(14(17)18)6-11(9)13(15)16/h5-8H,1-4H3

InChI Key:

SYRVNCAMWDHLKB-UHFFFAOYSA-N

SMILES:

CC(c1cc(C(C)C)c(cc1[N+](=O)[O-])[N+](=O)[O-])C

Complexity:

289

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.111g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.27g/mol

Monoisotopic Mass:

252.111g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.8