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Home > Aldehydes > 876345-31-2
876345-31-2 | 2-Chloro-5-methyl-6-phenylnicotinaldehyde
CAS No: 876345-31-2 Catalog No: AG004ONL MDL No:MFCD26724207
Product Description
Catalog Number:
AG004ONL
Chemical Name:
2-Chloro-5-methyl-6-phenylnicotinaldehyde
CAS Number:
876345-31-2
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
MDL Number:
MFCD26724207
IUPAC Name:
2-chloro-5-methyl-6-phenylpyridine-3-carbaldehyde
InChI:
InChI=1S/C13H10ClNO/c1-9-7-11(8-16)13(14)15-12(9)10-5-3-2-4-6-10/h2-8H,1H3
InChI Key:
UYPSBTYRVUBXES-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C)c(nc1Cl)c1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.045g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.679g/mol
Monoisotopic Mass:
231.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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