Name: Name:4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole
Brand: Angene
SKU: AG0039MZ
Rating: 90 (10 reviews)

4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole

CAS No.:

76186-72-6

Catalog Number:

AG0039MZ

Molecular Formula:

C6Br2N4O4S

Molecular Weight:

383.9616

Catalog Number:

AG0039MZ

Chemical Name:

4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole

CAS Number:

76186-72-6

Molecular Formula:

C6Br2N4O4S

Molecular Weight:

383.9616

MDL Number:

MFCD12031108

IUPAC Name:

4,7-dibromo-5,6-dinitro-2,1,3-benzothiadiazole

InChI:

InChI=1S/C6Br2N4O4S/c7-1-3-4(10-17-9-3)2(8)6(12(15)16)5(1)11(13)14

InChI Key:

XEVOZPRNEPMHAF-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1c([N+](=O)[O-])c(Br)c2c(c1Br)nsn2

Complexity:

318

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

383.799g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

383.958g/mol

Monoisotopic Mass:

381.801g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

146A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8