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1140495-90-4 | 4H-1,2,4-Triazole, 4-[(4-chlorophenyl)methyl]-3-methyl-5-(2R)-2-pyrrolidinyl-
CAS No: 1140495-90-4 Catalog No: AG000AEE MDL No:MFCD12924849
Product Description
Catalog Number:
AG000AEE
Chemical Name:
4H-1,2,4-Triazole, 4-[(4-chlorophenyl)methyl]-3-methyl-5-(2R)-2-pyrrolidinyl-
CAS Number:
1140495-90-4
Molecular Formula:
C14H17ClN4
Molecular Weight:
276.7646
MDL Number:
MFCD12924849
IUPAC Name:
4-[(4-chlorophenyl)methyl]-3-methyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-triazole
InChI:
InChI=1S/C14H17ClN4/c1-10-17-18-14(13-3-2-8-16-13)19(10)9-11-4-6-12(15)7-5-11/h4-7,13,16H,2-3,8-9H2,1H3/t13-/m1/s1
InChI Key:
VJEBLYRZZRUHKU-CYBMUJFWSA-N
SMILES:
Clc1ccc(cc1)Cn1c(C)nnc1[C@H]1CCCN1
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
276.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.768g/mol
Monoisotopic Mass:
276.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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