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Home > Nitro Compounds > 102645-74-9
102645-74-9 | Phenol, 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)-
CAS No: 102645-74-9 Catalog No: AG00080H MDL No:
Product Description
Catalog Number:
AG00080H
Chemical Name:
Phenol, 2-(5-methyl-4-nitro-1H-pyrazol-3-yl)-
CAS Number:
102645-74-9
Molecular Formula:
C10H9N3O3
Molecular Weight:
219.1968
IUPAC Name:
2-(5-methyl-4-nitro-1H-pyrazol-3-yl)phenol
InChI:
InChI=1S/C10H9N3O3/c1-6-10(13(15)16)9(12-11-6)7-4-2-3-5-8(7)14/h2-5,14H,1H3,(H,11,12)
InChI Key:
WKUCQDQOGKRBMB-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1n[nH]c(c1[N+](=O)[O-])C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
219.2g/mol
Monoisotopic Mass:
219.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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