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113722-81-9 | 1H-Phenalen-1-one, 2-chloro-6-[(3-hydroxypropyl)amino]-
CAS No: 113722-81-9 Catalog No: AG0009G9 MDL No:MFCD00226953
Product Description
Catalog Number:
AG0009G9
Chemical Name:
1H-Phenalen-1-one, 2-chloro-6-[(3-hydroxypropyl)amino]-
CAS Number:
113722-81-9
Molecular Formula:
C16H14ClNO2
Molecular Weight:
287.7409
MDL Number:
MFCD00226953
IUPAC Name:
2-chloro-6-(3-hydroxypropylamino)phenalen-1-one
InChI:
InChI=1S/C16H14ClNO2/c17-13-9-10-5-6-14(18-7-2-8-19)11-3-1-4-12(15(10)11)16(13)20/h1,3-6,9,18-19H,2,7-8H2
InChI Key:
HRTMJRGKWDPJHI-UHFFFAOYSA-N
SMILES:
OCCCNc1ccc2c3c1cccc3C(=O)C(=C2)Cl
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.743g/mol
Monoisotopic Mass:
287.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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