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1013-83-8 | 2-Naphthalenecarboxylic acid, 5-bromo-
CAS No: 1013-83-8 Catalog No: AG00046Q MDL No:MFCD08236734
Product Description
Catalog Number:
AG00046Q
Chemical Name:
2-Naphthalenecarboxylic acid, 5-bromo-
CAS Number:
1013-83-8
Molecular Formula:
C11H7BrO2
Molecular Weight:
251.0761
MDL Number:
MFCD08236734
IUPAC Name:
5-bromonaphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H7BrO2/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h1-6H,(H,13,14)
InChI Key:
QPOQPJDDJJNVRY-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)cccc2Br
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.963g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.079g/mol
Monoisotopic Mass:
249.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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