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Home > Nitro Compounds > 1004644-27-2
1004644-27-2 | 1-ETHYL-3-METHYL-4-(4-NITRO-PYRAZOL-1-YLMETHYL)-1H-PYRAZOLE
CAS No: 1004644-27-2 Catalog No: AG01ANZW MDL No:MFCD04971170
Product Description
Catalog Number:
AG01ANZW
Chemical Name:
1-ETHYL-3-METHYL-4-(4-NITRO-PYRAZOL-1-YLMETHYL)-1H-PYRAZOLE
CAS Number:
1004644-27-2
Molecular Formula:
C10H13N5O2
Molecular Weight:
235.2425
MDL Number:
MFCD04971170
IUPAC Name:
1-ethyl-3-methyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole
InChI:
InChI=1S/C10H13N5O2/c1-3-13-5-9(8(2)12-13)6-14-7-10(4-11-14)15(16)17/h4-5,7H,3,6H2,1-2H3
InChI Key:
PEDRFEUKJQXHKP-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1)Cn1ncc(c1)[N+](=O)[O-])C
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.107g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.247g/mol
Monoisotopic Mass:
235.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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