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144401-56-9 | 4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-, oxime
CAS No: 144401-56-9 Catalog No: AG001JHC MDL No:
Product Description
Catalog Number:
AG001JHC
Chemical Name:
4H-1-Benzopyran-4-one, 3-bromo-2,3-dihydro-, oxime
CAS Number:
144401-56-9
Molecular Formula:
C9H8BrNO2
Molecular Weight:
242.0693
IUPAC Name:
N-(3-bromo-2,3-dihydrochromen-4-ylidene)hydroxylamine
InChI:
InChI=1S/C9H8BrNO2/c10-7-5-13-8-4-2-1-3-6(8)9(7)11-12/h1-4,7,12H,5H2
InChI Key:
ASZYXYFNLRIUFA-UHFFFAOYSA-N
SMILES:
ON=C1C(Br)COc2c1cccc2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.072g/mol
Monoisotopic Mass:
240.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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