Home Other Building Blocks 2-(pyrrolidin-2-yl)-4-(trifluoromethyl)pyrimidine hydrochloride

2-(pyrrolidin-2-yl)-4-(trifluoromethyl)pyrimidine hydrochloride

CAS No.:
1955557-37-5
Catalog Number:
AG01B5E2
Molecular Formula:
C9H11ClF3N3
Molecular Weight:
253.6519
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Product Description
Catalog Number:
AG01B5E2
Chemical Name:
2-(pyrrolidin-2-yl)-4-(trifluoromethyl)pyrimidine hydrochloride
CAS Number:
1955557-37-5
Molecular Formula:
C9H11ClF3N3
Molecular Weight:
253.6519
MDL Number:
MFCD30181046
IUPAC Name:
2-pyrrolidin-2-yl-4-(trifluoromethyl)pyrimidine;hydrochloride
InChI:
InChI=1S/C9H10F3N3.ClH/c10-9(11,12)7-3-5-14-8(15-7)6-2-1-4-13-6;/h3,5-6,13H,1-2,4H2;1H
InChI Key:
SLHQMKNLMHGWPV-UHFFFAOYSA-N
SMILES:
FC(c1ccnc(n1)C1CCCN1)(F)F.Cl
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.059g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.653g/mol
Monoisotopic Mass:
253.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties