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Home > Aldehydes > 1263279-70-4
1263279-70-4 | 1H-Pyrazole-3-carboxaldehyde, 1-(methoxymethyl)-
CAS No: 1263279-70-4 Catalog No: AG000SL6 MDL No:
Product Description
Catalog Number:
AG000SL6
Chemical Name:
1H-Pyrazole-3-carboxaldehyde, 1-(methoxymethyl)-
CAS Number:
1263279-70-4
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
IUPAC Name:
1-(4-fluoro-2-nitrophenyl)propan-2-one
InChI:
InChI=1S/C9H8FNO3/c1-6(12)4-7-2-3-8(10)5-9(7)11(13)14/h2-3,5H,4H2,1H3
InChI Key:
ZUSSYVUYWCVGHV-UHFFFAOYSA-N
SMILES:
COCn1ccc(n1)C=O
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.165g/mol
Monoisotopic Mass:
197.049g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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