Name: Name:4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-, methyl ester
Brand: Angene
SKU: AG000ZHT
Rating: 90 (10 reviews)

4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-, methyl ester

CAS No.:

1316122-22-1

Catalog Number:

AG000ZHT

Molecular Formula:

C9H11BrN2O2

Molecular Weight:

259.0998

Catalog Number:

AG000ZHT

Chemical Name:

4-Pyrimidinecarboxylic acid, 5-bromo-2-(1-methylethyl)-, methyl ester

CAS Number:

1316122-22-1

Molecular Formula:

C9H11BrN2O2

Molecular Weight:

259.0998

MDL Number:

MFCD21607117

IUPAC Name:

methyl 5-bromo-2-propan-2-ylpyrimidine-4-carboxylate

InChI:

InChI=1S/C9H11BrN2O2/c1-5(2)8-11-4-6(10)7(12-8)9(13)14-3/h4-5H,1-3H3

InChI Key:

AOJUZBBXYNRCNT-UHFFFAOYSA-N

SMILES:

COC(=O)c1nc(ncc1Br)C(C)C

Complexity:

211

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

259.103g/mol

Monoisotopic Mass:

258g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

52.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.2