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123266-62-6 | 2-Naphthalenecarboxylic acid, 7-bromo-3-methoxy-
CAS No: 123266-62-6 Catalog No: AG000K9Q MDL No:MFCD27938891
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:
MFCD27938891
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
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