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Home > Aldehydes > 1179126-73-8
1179126-73-8 | 3-(5-bromothiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CAS No: 1179126-73-8 Catalog No: AG01BVAO MDL No:MFCD12776994
Product Description
Catalog Number:
AG01BVAO
Chemical Name:
3-(5-bromothiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CAS Number:
1179126-73-8
Molecular Formula:
C8H5BrN2OS
Molecular Weight:
257.1071
MDL Number:
MFCD12776994
IUPAC Name:
5-(5-bromothiophen-2-yl)-1H-pyrazole-4-carbaldehyde
InChI:
InChI=1S/C8H5BrN2OS/c9-7-2-1-6(13-7)8-5(4-12)3-10-11-8/h1-4H,(H,10,11)
InChI Key:
QMAFAPNMLNJEQL-UHFFFAOYSA-N
SMILES:
O=Cc1c[nH]nc1c1ccc(s1)Br
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.931g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.105g/mol
Monoisotopic Mass:
255.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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