200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 1803580-85-9
1803580-85-9 | 2,5-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrrole-3-carbaldehyde
CAS No: 1803580-85-9 Catalog No: AG01AD4R MDL No:MFCD27920056
Product Description
Catalog Number:
AG01AD4R
Chemical Name:
2,5-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]-1H-pyrrole-3-carbaldehyde
CAS Number:
1803580-85-9
Molecular Formula:
C12H10F3N3O
Molecular Weight:
269.2225
MDL Number:
MFCD27920056
IUPAC Name:
2,5-dimethyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrole-3-carbaldehyde
InChI:
InChI=1S/C12H10F3N3O/c1-7-5-9(6-19)8(2)18(7)11-16-4-3-10(17-11)12(13,14)15/h3-6H,1-2H3
InChI Key:
OTQQPVPEVWITRY-UHFFFAOYSA-N
SMILES:
O=Cc1cc(n(c1C)c1nccc(n1)C(F)(F)F)C
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.227g/mol
Monoisotopic Mass:
269.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Related Products
© 2019 Angene International Limited. All rights Reserved.