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Home > Aldehydes > 1289100-13-5
1289100-13-5 | 5-chloro-2-isopropoxynicotinaldehyde
CAS No: 1289100-13-5 Catalog No: AG01DDYA MDL No:MFCD28970139
Product Description
Catalog Number:
AG01DDYA
Chemical Name:
5-chloro-2-isopropoxynicotinaldehyde
CAS Number:
1289100-13-5
Molecular Formula:
C9H10ClNO2
Molecular Weight:
199.6342
MDL Number:
MFCD28970139
IUPAC Name:
5-chloro-2-propan-2-yloxypyridine-3-carbaldehyde
InChI:
InChI=1S/C9H10ClNO2/c1-6(2)13-9-7(5-12)3-8(10)4-11-9/h3-6H,1-2H3
InChI Key:
SZMLAVICIIFRQI-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Cl)cnc1OC(C)C
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.634g/mol
Monoisotopic Mass:
199.04g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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