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methyl 2-(bromomethyl)-5-nitrobenzoate

methyl 2-(bromomethyl)-5-nitrobenzoate

CAS: 90725-68-1

Formula: C9H8BrNO4

SMILES: COC(=O)C1=CC(=CC=C1CBr)[N+]([O-])=O

IUPAC: methyl 2-(bromomethyl)-5-nitrobenzoate

InChI: InChI=1S/C9H8BrNO4/c1-15-9(12)8-4-7(11(13)14)3-2-6(8)5-10/h2-4H,5H2,1H3

Composition: C (39.44%), H (2.94%), Br (29.15%), N (5.11%), O (23.35%)

Molar Mass: 274.07

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 272.963671
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey OAEABYNRBPCSQB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.25
Topological Polar Surface Area 69.44
Polarizability 21.44
Ring Count 1
Rotatable Bond Count 4

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