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129-35-1 | 9,10-Anthracenedione, 1-chloro-2-methyl-
CAS No: 129-35-1 Catalog No: AG000YRL MDL No:
Product Description
Catalog Number:
AG000YRL
Chemical Name:
9,10-Anthracenedione, 1-chloro-2-methyl-
CAS Number:
129-35-1
Molecular Formula:
C15H9ClO2
Molecular Weight:
256.6838
IUPAC Name:
1-chloro-2-methylanthracene-9,10-dione
InChI:
InChI=1S/C15H9ClO2/c1-8-6-7-11-12(13(8)16)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3
InChI Key:
NMFBXBSNLQNQKL-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1ccc(c2Cl)C
EC Number:
204-940-4
UNII:
1R4Z9RL2L3
NSC Number:
504
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.029g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.685g/mol
Monoisotopic Mass:
256.029g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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