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Home > Aldehydes > 1935503-87-9
1935503-87-9 | 2-(3,3-difluoropyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CAS No: 1935503-87-9 Catalog No: AG01C8Y9 MDL No:MFCD31443439
Product Description
Catalog Number:
AG01C8Y9
Chemical Name:
2-(3,3-difluoropyrrolidin-1-yl)pyrimidine-5-carbaldehyde
CAS Number:
1935503-87-9
Molecular Formula:
C9H9F2N3O
Molecular Weight:
213.1841
MDL Number:
MFCD31443439
IUPAC Name:
2-(3,3-difluoropyrrolidin-1-yl)pyrimidine-5-carbaldehyde
InChI:
InChI=1S/C9H9F2N3O/c10-9(11)1-2-14(6-9)8-12-3-7(5-15)4-13-8/h3-5H,1-2,6H2
InChI Key:
OZBSHZXEBYIAHM-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(nc1)N1CCC(C1)(F)F
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.071g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.188g/mol
Monoisotopic Mass:
213.071g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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