Name: Name:2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl)benzonitrile
Brand: Angene
SKU: AG004LF7
Rating: 90 (10 reviews)

2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl)benzonitrile

CAS No.:

865758-96-9

Catalog Number:

AG004LF7

Molecular Formula:

C13H10ClN3O2

Molecular Weight:

275.6904

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

25mg

99%(HPLC)

In Stock USA

United States

$87

- +

100mg

99%(HPLC)

In Stock USA

United States

$255

- +

Catalog Number:

AG004LF7

Chemical Name:

2-((6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)methyl)benzonitrile

CAS Number:

865758-96-9

Molecular Formula:

C13H10ClN3O2

Molecular Weight:

275.6904

MDL Number:

MFCD11558902

IUPAC Name:

2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]benzonitrile

InChI:

InChI=1S/C13H10ClN3O2/c1-16-12(18)6-11(14)17(13(16)19)8-10-5-3-2-4-9(10)7-15/h2-6H,8H2,1H3

InChI Key:

BVUJISIVAHYNLI-UHFFFAOYSA-N

SMILES:

N#Cc1ccccc1Cn1c(Cl)cc(=O)n(c1=O)C

EC Number:

695-742-0

Complexity:

480

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.692g/mol

Monoisotopic Mass:

275.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4