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100540-89-4 | 9H-Xanthene-9-carboxylic acid, 2,7-dibromo-
CAS No: 100540-89-4 Catalog No: AG0002AA MDL No:
Product Description
Catalog Number:
AG0002AA
Chemical Name:
9H-Xanthene-9-carboxylic acid, 2,7-dibromo-
CAS Number:
100540-89-4
Molecular Formula:
C14H8Br2O3
Molecular Weight:
384.0195
IUPAC Name:
2,7-dibromo-9H-xanthene-9-carboxylic acid
InChI:
InChI=1S/C14H8Br2O3/c15-7-1-3-11-9(5-7)13(14(17)18)10-6-8(16)2-4-12(10)19-11/h1-6,13H,(H,17,18)
InChI Key:
XGKZGBSBIXWDHV-UHFFFAOYSA-N
SMILES:
OC(=O)C1c2cc(Br)ccc2Oc2c1cc(Br)cc2
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.882g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.023g/mol
Monoisotopic Mass:
381.884g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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