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8-Bromo-1-naphthoic acid,Maybridge1_002138,AIDS018024,AIDS-018024,EINE

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摘 要:8-Bromo-1-naphthoic acid,Maybridge1_002138,AIDS018024,AIDS-018024,EINECS 217-045-9,1-Naphthalenecarboxylic acid, 8-bromo-,ST5410692,1729-99-3, 8-bromonaphthalene-1-carboxylic acid,Canonical SMILES: C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)Br,InChI: InChI=1/C11
[Synonyms]
8-Bromo-1-naphthoic acid
Maybridge1_002138
AIDS018024
AIDS-018024
EINECS 217-045-9
1-Naphthalenecarboxylic acid, 8-bromo-
ST5410692
1729-99-3

[Structure]
8-Bromo-1-naphthoic acid,Maybridge1_002138,AIDS018024,AIDS-018024,EINE

[ Properties Computed from Structure]
Molecular Weight251.07608 [g/mol]
Molecular FormulaC11H7BrO2
XLogP3.7
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count1
Exact Mass249.962942
MonoIsotopic Mass249.962942
Topological Polar Surface Area37.3
Heavy Atom Count14
Formal Charge0
Complexity229
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 8-bromonaphthalene-1-carboxylic acid
Canonical SMILES: C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)Br
InChI: InChI=1/C11H7BrO2/c12-9-6-2-4-7-3-1-5-8(10(7)9)11(13)14/h1-6H,(H,13,
14)/f/h13H

 
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