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Home > Aldehydes > 115027-23-1
115027-23-1 | 1H-Pyrrole-2-carboxaldehyde, 4-(2-chloroacetyl)-
CAS No: 115027-23-1 Catalog No: AG000FPE MDL No:MFCD04973717
Product Description
Catalog Number:
AG000FPE
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 4-(2-chloroacetyl)-
CAS Number:
115027-23-1
Molecular Formula:
C7H6ClNO2
Molecular Weight:
171.5810
MDL Number:
MFCD04973717
IUPAC Name:
4-(2-chloroacetyl)-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C7H6ClNO2/c8-2-7(11)5-1-6(4-10)9-3-5/h1,3-4,9H,2H2
InChI Key:
WDVCSBMHJIMXIP-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1c[nH]c(c1)C=O
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.009g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.58g/mol
Monoisotopic Mass:
171.009g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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