1-(4-bromo-2-nitrophenyl)propan-1-one

1-(4-bromo-2-nitrophenyl)propan-1-one

CAS: 5216-22-8

Formula: C9H8BrNO3

SMILES: CCC(=O)C1=CC=C(Br)C=C1[N+]([O-])=O

IUPAC: 1-(4-bromo-2-nitrophenyl)propan-1-one

InChI: InChI=1S/C9H8BrNO3/c1-2-9(12)7-4-3-6(10)5-8(7)11(13)14/h3-5H,2H2,1H3

Composition: C (41.89%), H (3.12%), Br (30.96%), N (5.43%), O (18.60%)

Molar Mass: 258.071

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.968756
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	PEETXSWHSBVLKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.03
Topological Polar Surface Area	60.21
Polarizability	20.75
Ring Count	1
Rotatable Bond Count	3

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