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3507-49-1

3507-49-1 | 2-Bromo-7-nitrobenzo[d]thiazole

CAS No: 3507-49-1 Catalog No: AG00381C MDL No:MFCD09749260

Product Description

Catalog Number:
AG00381C
Chemical Name:
2-Bromo-7-nitrobenzo[d]thiazole
CAS Number:
3507-49-1
Molecular Formula:
C7H3BrN2O2S
Molecular Weight:
259.0799
MDL Number:
MFCD09749260
IUPAC Name:
2-bromo-7-nitro-1,3-benzothiazole
InChI:
InChI=1S/C7H3BrN2O2S/c8-7-9-4-2-1-3-5(10(11)12)6(4)13-7/h1-3H
InChI Key:
PWPBTTMQBPXQDY-UHFFFAOYSA-N
SMILES:
Brc1nc2c(s1)c(ccc2)[N+](=O)[O-]

Properties

Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.91g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.077g/mol
Monoisotopic Mass:
257.91g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

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