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3034-48-8 | Thiazole, 2-bromo-5-nitro-
CAS No: 3034-48-8 Catalog No: AG002ZTC MDL No:MFCD00005317
Product Description
Catalog Number:
AG002ZTC
Chemical Name:
Thiazole, 2-bromo-5-nitro-
CAS Number:
3034-48-8
Molecular Formula:
C3HBrN2O2S
Molecular Weight:
209.0212
MDL Number:
MFCD00005317
IUPAC Name:
2-bromo-5-nitro-1,3-thiazole
InChI:
InChI=1S/C3HBrN2O2S/c4-3-5-1-2(9-3)6(7)8/h1H
InChI Key:
ANIJFZVZXZQFDH-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(s1)Br
EC Number:
221-226-8
NSC Number:
91531
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.894g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.017g/mol
Monoisotopic Mass:
207.894g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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