Home Nitros 2-(3-Methoxy-4-nitrophenyl)-4h-chromen-4-one

2-(3-Methoxy-4-nitrophenyl)-4h-chromen-4-one

CAS No.:
145370-39-4
Catalog Number:
AG00341S
Molecular Formula:
C16H11NO5
Molecular Weight:
297.2622
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Product Description
Catalog Number:
AG00341S
Chemical Name:
2-(3-Methoxy-4-nitrophenyl)-4h-chromen-4-one
CAS Number:
145370-39-4
Molecular Formula:
C16H11NO5
Molecular Weight:
297.2622
MDL Number:
MFCD22479198
IUPAC Name:
2-(3-methoxy-4-nitrophenyl)chromen-4-one
InChI:
InChI=1S/C16H11NO5/c1-21-16-8-10(6-7-12(16)17(19)20)15-9-13(18)11-4-2-3-5-14(11)22-15/h2-9H,1H3
InChI Key:
PXYZRNAKLZWNCF-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1[N+](=O)[O-])c1cc(=O)c2c(o1)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:
297.064g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.266g/mol
Monoisotopic Mass:
297.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
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Properties