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Home > Aldehydes > 138371-99-0
138371-99-0 | 1H-Pyrrole-2-carboxaldehyde, 4-bromo-1-(phenylsulfonyl)-
CAS No: 138371-99-0 Catalog No: AG0018NY MDL No:
Product Description
Catalog Number:
AG0018NY
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 4-bromo-1-(phenylsulfonyl)-
CAS Number:
138371-99-0
Molecular Formula:
C11H8BrNO3S
Molecular Weight:
314.1551
IUPAC Name:
1-(benzenesulfonyl)-4-bromopyrrole-2-carbaldehyde
InChI:
InChI=1S/C11H8BrNO3S/c12-9-6-10(8-14)13(7-9)17(15,16)11-4-2-1-3-5-11/h1-8H
InChI Key:
BSOIGOHUKMMRTM-UHFFFAOYSA-N
SMILES:
O=Cc1cc(cn1S(=O)(=O)c1ccccc1)Br
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.941g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.153g/mol
Monoisotopic Mass:
312.941g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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