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(2E)-2-methylbut-2-enoyl chloride

(2E)-2-methylbut-2-enoyl chloride

CAS: 35660-94-7

Formula: C5H7ClO

SMILES: CC=C(/C)C(Cl)=O

IUPAC: (2E)-2-methylbut-2-enoyl chloride

InChI: InChI=1S/C5H7ClO/c1-3-4(2)5(6)7/h3H,1-2H3/b4-3+

Composition: C (50.65%), H (5.95%), Cl (29.90%), O (13.49%)

Molar Mass: 118.56

Atom Count: 14

Heavy Atom Count: 7

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 118.0185425
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey TUNLYEHIVPWOHK-ONEGZZNKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.18
Topological Polar Surface Area 17.07
Polarizability 11.65
Ring Count 0
Rotatable Bond Count 1

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