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117-01-1 | 9,10-Anthracenedione, 2-amino-1-bromo-3-chloro-
CAS No: 117-01-1 Catalog No: AG000DI2 MDL No:MFCD00019131
Product Description
Catalog Number:
AG000DI2
Chemical Name:
9,10-Anthracenedione, 2-amino-1-bromo-3-chloro-
CAS Number:
117-01-1
Molecular Formula:
C14H7BrClNO2
Molecular Weight:
336.5679
MDL Number:
MFCD00019131
IUPAC Name:
2-amino-1-bromo-3-chloroanthracene-9,10-dione
InChI:
InChI=1S/C14H7BrClNO2/c15-11-10-8(5-9(16)12(11)17)13(18)6-3-1-2-4-7(6)14(10)19/h1-5H,17H2
InChI Key:
ZFWJIKSKKWACEX-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(Br)c(c(c2)Cl)N
NSC Number:
87594
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.935g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
336.569g/mol
Monoisotopic Mass:
334.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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