CCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br
CAS: 86471-14-9
Name: ethyl 6-bromonaphthalene-2-carboxylate
SMILES: CCOC(=O)C1=CC2=C(C=C1)C=C(C=C2)Br

Molecular Processing

Molecular formula
C13H11BrO2
Molecular weight
279.13
Exact mass
277.9942
XLogP
3.78
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
67.6

Supplementary Information

InChIKey: FJNDHRWJMFOBCX-UHFFFAOYSA-N
Synonyme
ethyl 6-bromo-2-naphthoate86471-14-9ethyl 6-bromonaphthalene-2-carboxylate2-Naphthalenecarboxylic acid, 6-bromo-, ethyl esterMFCD05257070ethyl6-bromo-2-naphthoate6-bromo-naphthalene-2-carboxylic acid ethyl esterSCHEMBL4079402DTXSID40361369FJNDHRWJMFOBCX-UHFFFAOYSA-NALBB-025142SBB072432STK734585AKOS003348439ethyl 6-bromo-2-naphthalinecarboxylateEthyl 6-bromo-2-naphthalenecarboxylateEthyl 6-bromo-2-naphthalene carboxylateethyl 6-bromo-naphthalene-2-carboxylateCS-16292DA-33708SY260503ST4102762CS-0094723A10156F374765
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