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Home > Nitro Compounds > 898053-27-5
898053-27-5 | 1-BENZYL-3-NITRO-1H-PYRAZOLE
CAS No: 898053-27-5 Catalog No: AG00H0SU MDL No:MFCD04969944
Product Description
Catalog Number:
AG00H0SU
Chemical Name:
1-BENZYL-3-NITRO-1H-PYRAZOLE
CAS Number:
898053-27-5
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD04969944
IUPAC Name:
1-benzyl-3-nitropyrazole
InChI:
InChI=1S/C10H9N3O2/c14-13(15)10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-7H,8H2
InChI Key:
UUQVFBBHWLZERQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)Cc1ccccc1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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