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140937-16-2 | 1,9-Anthracenedicarboxylic acid, 7-chloro-
CAS No: 140937-16-2 Catalog No: AG001FNO MDL No:
Product Description
Catalog Number:
AG001FNO
Chemical Name:
1,9-Anthracenedicarboxylic acid, 7-chloro-
CAS Number:
140937-16-2
Molecular Formula:
C16H9ClO4
Molecular Weight:
300.6933
IUPAC Name:
7-chloroanthracene-1,9-dicarboxylic acid
InChI:
InChI=1S/C16H9ClO4/c17-10-5-4-8-6-9-2-1-3-11(15(18)19)13(9)14(16(20)21)12(8)7-10/h1-7H,(H,18,19)(H,20,21)
InChI Key:
DNWFSQJINWTDDD-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(C(=O)O)c1c(c2)cccc1C(=O)O
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.019g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
300.694g/mol
Monoisotopic Mass:
300.019g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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