Home Halogens 2-Naphthalenecarboxylic acid, 7-bromo-3-methoxy-

2-Naphthalenecarboxylic acid, 7-bromo-3-methoxy-

CAS No.:
123266-62-6
Catalog Number:
AG000K9Q
Molecular Formula:
C12H9BrO3
Molecular Weight:
281.1021
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Product Description
Catalog Number:
AG000K9Q
Chemical Name:
2-Naphthalenecarboxylic acid, 7-bromo-3-methoxy-
CAS Number:
123266-62-6
Molecular Formula:
C12H9BrO3
Molecular Weight:
281.1021
MDL Number:
MFCD18825522
IUPAC Name:
7-bromo-3-methoxynaphthalene-2-carboxylic acid
InChI:
InChI=1S/C12H9BrO3/c1-16-11-6-7-2-3-9(13)4-8(7)5-10(11)12(14)15/h2-6H,1H3,(H,14,15)
InChI Key:
QUAVESQJWNBXDZ-UHFFFAOYSA-N
SMILES:
COc1cc2ccc(cc2cc1C(=O)O)Br
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.974g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.105g/mol
Monoisotopic Mass:
279.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties