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79456-86-3 | 5-Bromo-4-nitrothiophene-2-carbaldehyde
CAS No: 79456-86-3 Catalog No: AG005JLQ MDL No:MFCD23135738
Product Description
Catalog Number:
AG005JLQ
Chemical Name:
5-Bromo-4-nitrothiophene-2-carbaldehyde
CAS Number:
79456-86-3
Molecular Formula:
C5H2BrNO3S
Molecular Weight:
236.0433
MDL Number:
MFCD23135738
IUPAC Name:
5-bromo-4-nitrothiophene-2-carbaldehyde
InChI:
InChI=1S/C5H2BrNO3S/c6-5-4(7(9)10)1-3(2-8)11-5/h1-2H
InChI Key:
TWTNTCADPSCOHX-UHFFFAOYSA-N
SMILES:
O=Cc1sc(c(c1)[N+](=O)[O-])Br
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.894g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.039g/mol
Monoisotopic Mass:
234.894g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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