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87434-71-7 | 1H-Pyrrole-2-carboxaldehyde, 4-(2-chloroethyl)-3,5-dimethyl-
CAS No: 87434-71-7 Catalog No: AG004MDH MDL No:
Product Description
Catalog Number:
AG004MDH
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 4-(2-chloroethyl)-3,5-dimethyl-
CAS Number:
87434-71-7
Molecular Formula:
C9H12ClNO
Molecular Weight:
185.6507
IUPAC Name:
4-(2-chloroethyl)-3,5-dimethyl-1H-pyrrole-2-carbaldehyde
InChI:
InChI=1S/C9H12ClNO/c1-6-8(3-4-10)7(2)11-9(6)5-12/h5,11H,3-4H2,1-2H3
InChI Key:
UAEMMSMYXWLXEF-UHFFFAOYSA-N
SMILES:
ClCCc1c(C)[nH]c(c1C)C=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.651g/mol
Monoisotopic Mass:
185.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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