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33694-79-0 | 4-bromo-1-methyl-1H-pyrrole-2-carbaldehyde
CAS No: 33694-79-0 Catalog No: AG01DWCN MDL No:MFCD24674290
Product Description
Catalog Number:
AG01DWCN
Chemical Name:
4-bromo-1-methyl-1H-pyrrole-2-carbaldehyde
CAS Number:
33694-79-0
Molecular Formula:
C6H6BrNO
Molecular Weight:
188.0219
MDL Number:
MFCD24674290
IUPAC Name:
4-bromo-1-methylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C6H6BrNO/c1-8-3-5(7)2-6(8)4-9/h2-4H,1H3
InChI Key:
VEEDIVXHCKQZMS-UHFFFAOYSA-N
SMILES:
Cn1cc(cc1C=O)Br
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.963g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.024g/mol
Monoisotopic Mass:
186.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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