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2-methyl-5-(1H-pyrazol-3-yl)furan-3-sulfonyl chloride

2-methyl-5-(1H-pyrazol-3-yl)furan-3-sulfonyl chloride

CAS: 1350521-53-7

Formula: C8H7ClN2O3S

SMILES: CC1=C(C=C(O1)C1=NNC=C1)S(Cl)(=O)=O

IUPAC: 2-methyl-5-(1H-pyrazol-3-yl)furan-3-sulfonyl chloride

InChI: InChI=1S/C8H7ClN2O3S/c1-5-8(15(9,12)13)4-7(14-5)6-2-3-10-11-6/h2-4H,1H3,(H,10,11)

Composition: C (38.95%), H (2.86%), Cl (14.37%), N (11.36%), O (19.46%), S (13.00%)

Molar Mass: 246.67

Atom Count: 22

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 245.986591
Formal Charge 0
FSP3 0.12
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SDSPBBUGAGVSFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.24
Topological Polar Surface Area 75.96
Polarizability 22.85
Ring Count 2
Rotatable Bond Count 2

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