Name: Name:tert-Butyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
Brand: Angene
SKU: AG00HTVV
Rating: 90 (10 reviews)

tert-Butyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

CAS No.:

1351094-00-2

Catalog Number:

AG00HTVV

Molecular Formula:

C11H12ClN3O2

Molecular Weight:

253.6849

Catalog Number:

AG00HTVV

Chemical Name:

tert-Butyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

CAS Number:

1351094-00-2

Molecular Formula:

C11H12ClN3O2

Molecular Weight:

253.6849

MDL Number:

MFCD28133903

IUPAC Name:

tert-butyl 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

InChI:

InChI=1S/C11H12ClN3O2/c1-11(2,3)17-10(16)7-4-6-8(12)13-5-14-9(6)15-7/h4-5H,1-3H3,(H,13,14,15)

InChI Key:

ZRISKYMQDIAOHD-UHFFFAOYSA-N

SMILES:

O=C(c1cc2c([nH]1)ncnc2Cl)OC(C)(C)C

Complexity:

306

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.062g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.686g/mol

Monoisotopic Mass:

253.062g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

67.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8