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1006953-87-2 | AKOS B016778
CAS No: 1006953-87-2 Catalog No: AG008RZS MDL No:MFCD04967837
Product Description
Catalog Number:
AG008RZS
Chemical Name:
AKOS B016778
CAS Number:
1006953-87-2
Molecular Formula:
C11H9N3O4
Molecular Weight:
247.2069
MDL Number:
MFCD04967837
IUPAC Name:
4-[(4-nitropyrazol-1-yl)methoxy]benzaldehyde
InChI:
InChI=1S/C11H9N3O4/c15-7-9-1-3-11(4-2-9)18-8-13-6-10(5-12-13)14(16)17/h1-7H,8H2
InChI Key:
VGZNRJOTGMXALE-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OCn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.059g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.21g/mol
Monoisotopic Mass:
247.059g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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