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Home > Aldehydes > 1415638-04-8
1415638-04-8 | 4-(azetidin-1-yl)-6-chloropyrimidine-5-carbaldehyde
CAS No: 1415638-04-8 Catalog No: AG01C8HL MDL No:MFCD31443118
Product Description
Catalog Number:
AG01C8HL
Chemical Name:
4-(azetidin-1-yl)-6-chloropyrimidine-5-carbaldehyde
CAS Number:
1415638-04-8
Molecular Formula:
C8H8ClN3O
Molecular Weight:
197.6216
MDL Number:
MFCD31443118
IUPAC Name:
4-(azetidin-1-yl)-6-chloropyrimidine-5-carbaldehyde
InChI:
InChI=1S/C8H8ClN3O/c9-7-6(4-13)8(11-5-10-7)12-2-1-3-12/h4-5H,1-3H2
InChI Key:
FIBRZRVPLONXDN-UHFFFAOYSA-N
SMILES:
O=Cc1c(ncnc1Cl)N1CCC1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.622g/mol
Monoisotopic Mass:
197.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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