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Home > Aldehydes > 1133116-27-4
1133116-27-4 | 5-Bromo-1-(4-methoxybenzyl)-1H-pyrrole-2-carbaldehyde
CAS No: 1133116-27-4 Catalog No: AG007SM5 MDL No:MFCD11855943
Product Description
Catalog Number:
AG007SM5
Chemical Name:
5-Bromo-1-(4-methoxybenzyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
1133116-27-4
Molecular Formula:
C13H12BrNO2
Molecular Weight:
294.1439
MDL Number:
MFCD11855943
IUPAC Name:
5-bromo-1-[(4-methoxyphenyl)methyl]pyrrole-2-carbaldehyde
InChI:
InChI=1S/C13H12BrNO2/c1-17-12-5-2-10(3-6-12)8-15-11(9-16)4-7-13(15)14/h2-7,9H,8H2,1H3
InChI Key:
VVFQWAQBFJMECR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1c(Br)ccc1C=O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.148g/mol
Monoisotopic Mass:
293.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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