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131940-34-6 | 1,4-Naphthalenedione, 2-bromo-3-[(4-chlorophenyl)amino]-
CAS No: 131940-34-6 Catalog No: AG000ZY4 MDL No:
Product Description
Catalog Number:
AG000ZY4
Chemical Name:
1,4-Naphthalenedione, 2-bromo-3-[(4-chlorophenyl)amino]-
CAS Number:
131940-34-6
Molecular Formula:
C16H9BrClNO2
Molecular Weight:
362.6052
IUPAC Name:
2-bromo-3-(4-chloroanilino)naphthalene-1,4-dione
InChI:
InChI=1S/C16H9BrClNO2/c17-13-14(19-10-7-5-9(18)6-8-10)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,19H
InChI Key:
TXBFDLLERQOZTB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC1=C(Br)C(=O)c2c(C1=O)cccc2
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.951g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.607g/mol
Monoisotopic Mass:
360.951g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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