1159977-03-3 - Angene

2-Amino-5,6-dichloro-3(4H)-quinazoline Acetic Acid(Anagrelide Impurity B)

CAS No.:

1159977-03-3

Catalog Number:

AG008VUI

Molecular Formula:

C10H10Cl3N3O2

Molecular Weight:

310.5643

Catalog Number:

AG008VUI

Chemical Name:

2-Amino-5,6-dichloro-3(4H)-quinazoline Acetic Acid(Anagrelide Impurity B)

CAS Number:

1159977-03-3

Molecular Formula:

C10H10Cl3N3O2

Molecular Weight:

310.5643

MDL Number:

MFCD27966163

IUPAC Name:

2-(2-amino-5,6-dichloro-4H-quinazolin-3-yl)acetic acid

InChI:

InChI=1S/C10H9Cl2N3O2/c11-6-1-2-7-5(9(6)12)3-15(4-8(16)17)10(13)14-7/h1-2H,3-4H2,(H2,13,14)(H,16,17)

InChI Key:

LXLOZUWWCLJYGV-UHFFFAOYSA-N

SMILES:

OC(=O)CN1Cc2c(NC1=N)ccc(c2Cl)Cl.Cl

UNII:

03TUA9L576

Complexity:

350

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

273.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

274.101g/mol

Monoisotopic Mass:

273.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2