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885269-61-4 | 2H-1-Benzopyran-2-one,4-amino-6-chloro-
CAS No: 885269-61-4 Catalog No: AG00474I MDL No:
Product Description
Catalog Number:
AG00474I
Chemical Name:
2H-1-Benzopyran-2-one,4-amino-6-chloro-
CAS Number:
885269-61-4
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
IUPAC Name:
4-amino-6-chlorochromen-2-one
InChI:
InChI=1S/C9H6ClNO2/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4H,11H2
InChI Key:
JBJOPQHVOOSYPS-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(N)cc(=O)o2
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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