1-(5-bromopyrimidin-2-yl)propan-1-one

1-(5-bromopyrimidin-2-yl)propan-1-one

CAS: 1346808-91-0

Formula: C7H7BrN2O

SMILES: CCC(=O)C1=NC=C(Br)C=N1

IUPAC: 1-(5-bromopyrimidin-2-yl)propan-1-one

InChI: InChI=1S/C7H7BrN2O/c1-2-6(11)7-9-3-5(8)4-10-7/h3-4H,2H2,1H3

Composition: C (39.10%), H (3.28%), Br (37.16%), N (13.03%), O (7.44%)

Molar Mass: 215.05

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	213.974176
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	KADOUKMPZXRWKI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.04
Topological Polar Surface Area	42.85
Polarizability	17.08
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1346808-91-0		$61.79-$278.68$61.79$104.66$278.68