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Home > Nitro Compounds > 1003013-26-0
1003013-26-0 | 2-methyl-1-(3-nitro-1H-pyrazol-1-yl)propan-2-ol
CAS No: 1003013-26-0 Catalog No: AG01AJL9 MDL No:MFCD14594920
Product Description
Catalog Number:
AG01AJL9
Chemical Name:
2-methyl-1-(3-nitro-1H-pyrazol-1-yl)propan-2-ol
CAS Number:
1003013-26-0
Molecular Formula:
C7H11N3O3
Molecular Weight:
185.1805
MDL Number:
MFCD14594920
IUPAC Name:
2-methyl-1-(3-nitropyrazol-1-yl)propan-2-ol
InChI:
InChI=1S/C7H11N3O3/c1-7(2,11)5-9-4-3-6(8-9)10(12)13/h3-4,11H,5H2,1-2H3
InChI Key:
NJRBOBSBHMHKFC-UHFFFAOYSA-N
SMILES:
CC(Cn1ccc(n1)[N+](=O)[O-])(O)C
Properties
Complexity:
202
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:
0.3
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