methyl 6-bromopyrimidine-4-carboxylate

methyl 6-bromopyrimidine-4-carboxylate

CAS: 1209459-80-2

Formula: C6H5BrN2O2

SMILES: COC(=O)C1=CC(Br)=NC=N1

IUPAC: methyl 6-bromopyrimidine-4-carboxylate

InChI: InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-5(7)9-3-8-4/h2-3H,1H3

Composition: C (33.21%), H (2.32%), Br (36.82%), N (12.91%), O (14.74%)

Molar Mass: 217.022

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.95344
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GRYDXAABEUOKNI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.84
Topological Polar Surface Area	52.08
Polarizability	16.12
Ring Count	1
Rotatable Bond Count	2

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