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ethyl 4-(bromomethyl)-3-nitrobenzoate

ethyl 4-(bromomethyl)-3-nitrobenzoate

CAS: 96315-16-1

Formula: C10H10BrNO4

SMILES: CCOC(=O)C1=CC(=C(CBr)C=C1)[N+]([O-])=O

IUPAC: ethyl 4-(bromomethyl)-3-nitrobenzoate

InChI: InChI=1S/C10H10BrNO4/c1-2-16-10(13)7-3-4-8(6-11)9(5-7)12(14)15/h3-5H,2,6H2,1H3

Composition: C (41.69%), H (3.50%), Br (27.74%), N (4.86%), O (22.21%)

Molar Mass: 288.097

Atom Count: 26

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 286.979321
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey PIMARRUOUZIQAS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62
Topological Polar Surface Area 69.44
Polarizability 23.23
Ring Count 1
Rotatable Bond Count 5

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