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2059947-72-5 | 3-(4-bromophenyl)-1-ethyl-1H-pyrrole-2-carbaldehyde
CAS No: 2059947-72-5 Catalog No: AG01BPAR MDL No:MFCD30500031
Product Description
Catalog Number:
AG01BPAR
Chemical Name:
3-(4-bromophenyl)-1-ethyl-1H-pyrrole-2-carbaldehyde
CAS Number:
2059947-72-5
Molecular Formula:
C13H12BrNO
Molecular Weight:
278.1445
MDL Number:
MFCD30500031
IUPAC Name:
3-(4-bromophenyl)-1-ethylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H12BrNO/c1-2-15-8-7-12(13(15)9-16)10-3-5-11(14)6-4-10/h3-9H,2H2,1H3
InChI Key:
VVDUTSFAYVPFNZ-UHFFFAOYSA-N
SMILES:
CCn1ccc(c1C=O)c1ccc(cc1)Br
Properties
Complexity:
238
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:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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