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102388-00-1

102388-00-1 | 1H-Pyrazole, 1-(chloromethyl)-3-nitro-

CAS No: 102388-00-1 Catalog No: AG0007BC MDL No:MFCD04968625

Product Description

Catalog Number:
AG0007BC
Chemical Name:
1H-Pyrazole, 1-(chloromethyl)-3-nitro-
CAS Number:
102388-00-1
Molecular Formula:
C4H4ClN3O2
Molecular Weight:
161.5465
MDL Number:
MFCD04968625
IUPAC Name:
1-(chloromethyl)-3-nitropyrazole
InChI:
InChI=1S/C4H4ClN3O2/c5-3-7-2-1-4(6-7)8(9)10/h1-2H,3H2
InChI Key:
IAHWBFFRJXENRJ-UHFFFAOYSA-N
SMILES:
ClCn1ccc(n1)[N+](=O)[O-]

Properties

Complexity:
137  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.999g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.545g/mol
Monoisotopic Mass:
160.999g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  

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