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Home > Aldehydes > 714278-18-9
714278-18-9 | 1-(3,4-Dichloro-benzyl)-1H-pyrrole-2-carbaldehyde
CAS No: 714278-18-9 Catalog No: AG01EX2G MDL No:
Product Description
Catalog Number:
AG01EX2G
Chemical Name:
1-(3,4-Dichloro-benzyl)-1H-pyrrole-2-carbaldehyde
CAS Number:
714278-18-9
Molecular Formula:
C12H9Cl2NO
Molecular Weight:
254.1120
IUPAC Name:
1-[(3,4-dichlorophenyl)methyl]pyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H9Cl2NO/c13-11-4-3-9(6-12(11)14)7-15-5-1-2-10(15)8-16/h1-6,8H,7H2
InChI Key:
NXLQSORICMVTDU-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1Cc1ccc(c(c1)Cl)Cl
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.006g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.11g/mol
Monoisotopic Mass:
253.006g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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