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14339-33-4 | 3-Chloro-1H-pyrazole
CAS No: 14339-33-4 Catalog No: AG0038XL MDL No:MFCD12756597
Product Description
Catalog Number:
AG0038XL
Chemical Name:
3-Chloro-1H-pyrazole
CAS Number:
14339-33-4
Molecular Formula:
C3H3ClN2
Molecular Weight:
102.5223
MDL Number:
MFCD12756597
IUPAC Name:
5-chloro-1H-pyrazole
InChI:
InChI=1S/C3H3ClN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)
InChI Key:
IJPFBRONCJOTTA-UHFFFAOYSA-N
SMILES:
Clc1cc[nH]n1
Properties
Complexity:
48.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
101.998g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
102.521g/mol
Monoisotopic Mass:
101.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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