methyl 3-bromonaphthalene-1-carboxylate

methyl 3-bromonaphthalene-1-carboxylate

CAS: 16650-63-8

Formula: C12H9BrO2

SMILES: COC(=O)C1=CC(Br)=CC2=CC=CC=C12

IUPAC: methyl 3-bromonaphthalene-1-carboxylate

InChI: InChI=1S/C12H9BrO2/c1-15-12(14)11-7-9(13)6-8-4-2-3-5-10(8)11/h2-7H,1H3

Composition: C (54.37%), H (3.42%), Br (30.14%), O (12.07%)

Molar Mass: 265.106

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	263.978593
Formal Charge	0
FSP3	0.08
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	BAIYNFZNNISXSV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.16
Topological Polar Surface Area	26.3
Polarizability	24.95
Ring Count	2
Rotatable Bond Count	2

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J&W PHARMLAB LLC

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