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Home > Nitro Compounds > 1245772-03-5
1245772-03-5 | (1-ISOPROPYL-3-NITRO-1H-PYRAZOL-5-YL)METHANOL
CAS No: 1245772-03-5 Catalog No: AG01AOK9 MDL No:MFCD18262289
Product Description
Catalog Number:
AG01AOK9
Chemical Name:
(1-ISOPROPYL-3-NITRO-1H-PYRAZOL-5-YL)METHANOL
CAS Number:
1245772-03-5
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
MDL Number:
MFCD18262289
IUPAC Name:
(5-nitro-2-propan-2-ylpyrazol-3-yl)methanol
InChI:
InChI=1S/C7H11N3O3/c1-5(2)9-6(4-11)3-7(8-9)10(12)13/h3,5,11H,4H2,1-2H3
InChI Key:
DCBRVIWTJDIVNQ-UHFFFAOYSA-N
SMILES:
OCc1cc(nn1C(C)C)[N+](=O)[O-]
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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