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Home > Aldehydes > 662154-13-4
662154-13-4 | 1-(2-BROMOPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS No: 662154-13-4 Catalog No: AG006PCP MDL No:MFCD02629486
Product Description
Catalog Number:
AG006PCP
Chemical Name:
1-(2-BROMOPHENYL)-2,5-DIMETHYL-1H-PYRROLE-3-CARBALDEHYDE
CAS Number:
662154-13-4
Molecular Formula:
C13H12BrNO
Molecular Weight:
278.1445
MDL Number:
MFCD02629486
IUPAC Name:
1-(2-bromophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C13H12BrNO/c1-9-7-11(8-16)10(2)15(9)13-6-4-3-5-12(13)14/h3-8H,1-2H3
InChI Key:
PJLVJTIMOZSLLJ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1ccccc1Br)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.149g/mol
Monoisotopic Mass:
277.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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