3-bromooxan-4-one

3-bromooxan-4-one

CAS: 98021-79-5

Formula: C5H7BrO2

SMILES: BrC1COCCC1=O

IUPAC: 3-bromooxan-4-one

InChI: InChI=1/C5H7BrO2/c6-4-3-8-2-1-5(4)7/h4H,1-3H2

Composition: C (33.55%), H (3.94%), Br (44.64%), O (17.87%)

Molar Mass: 179.013

Atom Count: 15

Heavy Atom Count: 8

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	177.962942
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZGULSQDBOSMIBZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	32.86
Topological Polar Surface Area	26.3
Polarizability	12.97
Ring Count	1
Rotatable Bond Count	0

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