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76186-72-6

76186-72-6 | 4,7-Dibromo-5,6-dinitro-2,1,3-benzothiadiazole

CAS No: 76186-72-6 Catalog No: AG0039MZ MDL No:MFCD12031108

Product Description

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

Properties

Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.799g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
383.958g/mol
Monoisotopic Mass:
381.801g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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