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1231930-42-9 | 1H-BenziMidazole, 6-(2-chloro-5-fluoro-4-pyriMidinyl)-4-fluoro-2-Methyl-1-(1-Methylethyl)-
CAS No: 1231930-42-9 Catalog No: AG000K55 MDL No:MFCD25977328
Product Description
Catalog Number:
AG000K55
Chemical Name:
1H-BenziMidazole, 6-(2-chloro-5-fluoro-4-pyriMidinyl)-4-fluoro-2-Methyl-1-(1-Methylethyl)-
CAS Number:
1231930-42-9
Molecular Formula:
C15H13ClF2N4
Molecular Weight:
322.7403
MDL Number:
MFCD25977328
IUPAC Name:
6-(2-chloro-5-fluoropyrimidin-4-yl)-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole
InChI:
InChI=1S/C15H13ClF2N4/c1-7(2)22-8(3)20-14-10(17)4-9(5-12(14)22)13-11(18)6-19-15(16)21-13/h4-7H,1-3H3
InChI Key:
BDVDXNYOCBUMNP-UHFFFAOYSA-N
SMILES:
Clc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F
EC Number:
941-461-6
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.744g/mol
Monoisotopic Mass:
322.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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