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10165-29-4 | 9,10-Anthracenedione, 1-amino-3-bromo-2-methyl-
CAS No: 10165-29-4 Catalog No: AG00051O MDL No:
Product Description
Catalog Number:
AG00051O
Chemical Name:
9,10-Anthracenedione, 1-amino-3-bromo-2-methyl-
CAS Number:
10165-29-4
Molecular Formula:
C15H10BrNO2
Molecular Weight:
316.1494
IUPAC Name:
1-amino-3-bromo-2-methylanthracene-9,10-dione
InChI:
InChI=1S/C15H10BrNO2/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6H,17H2,1H3
InChI Key:
IREKOTQSZPLTEV-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(=O)c2c1c(N)c(c(c2)Br)C
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.989g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.154g/mol
Monoisotopic Mass:
314.989g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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