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methyl 1-(5-bromopyrimidin-2-yl)cyclopropane-1-carboxylate

methyl 1-(5-bromopyrimidin-2-yl)cyclopropane-1-carboxylate

CAS: 1447607-69-3

Formula: C9H9BrN2O2

SMILES: COC(=O)C1(CC1)C1=NC=C(Br)C=N1

IUPAC: methyl 1-(5-bromopyrimidin-2-yl)cyclopropane-1-carboxylate

InChI: InChI=1S/C9H9BrN2O2/c1-14-8(13)9(2-3-9)7-11-4-6(10)5-12-7/h4-5H,2-3H2,1H3

Composition: C (42.05%), H (3.53%), Br (31.08%), N (10.90%), O (12.45%)

Molar Mass: 257.087

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.984741
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey HZNFYESIZQQWCI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.36
Topological Polar Surface Area 52.08
Polarizability 20.78
Ring Count 2
Rotatable Bond Count 3

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