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Home > Bromides > 1016636-76-2
1016636-76-2 | Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-
CAS No: 1016636-76-2 Catalog No: AG00053Y MDL No:MFCD13181208
Product Description
Catalog Number:
AG00053Y
Chemical Name:
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-
CAS Number:
1016636-76-2
Molecular Formula:
C13H13BrClN3O
Molecular Weight:
342.6188
MDL Number:
MFCD13181208
IUPAC Name:
6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
InChI:
InChI=1S/C13H13BrClN3O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChI Key:
HJQCAEDIUJXGCQ-UHFFFAOYSA-N
SMILES:
Clc1ncc2c(n1)n(C1CCCC1)c(=O)c(c2C)Br
EC Number:
800-433-2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.993g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.621g/mol
Monoisotopic Mass:
340.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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