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Home > Nitro Compounds > 512810-09-2
512810-09-2 | 3-Isopropoxy-4-nitro-1H-pyrazole
CAS No: 512810-09-2 Catalog No: AG00I96Q MDL No:MFCD03444365
Product Description
Catalog Number:
AG00I96Q
Chemical Name:
3-Isopropoxy-4-nitro-1H-pyrazole
CAS Number:
512810-09-2
MDL Number:
MFCD03444365
IUPAC Name:
4-nitro-5-propan-2-yloxy-1H-pyrazole
InChI:
InChI=1S/C6H9N3O3/c1-4(2)12-6-5(9(10)11)3-7-8-6/h3-4H,1-2H3,(H,7,8)
InChI Key:
AGROZLDMFCVKAN-UHFFFAOYSA-N
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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