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1757-28-4 | 1H-Pyrrole-2-carboxaldehyde, 5-chloro-
CAS No: 1757-28-4 Catalog No: AG00214Z MDL No:
Product Description
Catalog Number:
AG00214Z
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 5-chloro-
CAS Number:
1757-28-4
Molecular Formula:
C5H4ClNO
Molecular Weight:
129.5444
IUPAC Name:
5-chloro-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C5H4ClNO/c6-5-2-1-4(3-8)7-5/h1-3,7H
InChI Key:
QWGXLWQDOWTWCG-UHFFFAOYSA-N
SMILES:
Clc1ccc([nH]1)C=O
Properties
Complexity:
96.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.998g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.543g/mol
Monoisotopic Mass:
128.998g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Straightforward acid-catalyzed synthesis of pyrrolyldipyrromethenes. | Angewandte Chemie (International ed. in English) 20120727 |
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