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6-chloro-2H-1,3-benzodioxol-5-amine

6-chloro-2H-1,3-benzodioxol-5-amine

CAS: 76958-07-1

Formula: C7H6ClNO2

SMILES: NC1=CC2=C(OCO2)C=C1Cl

IUPAC: 6-chloro-2H-1,3-benzodioxol-5-amine

InChI: InChI=1S/C7H6ClNO2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3,9H2

Composition: C (49.00%), H (3.52%), Cl (20.66%), N (8.16%), O (18.65%)

Molar Mass: 171.58

Atom Count: 17

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 171.0087061
Formal Charge 0
FSP3 0.14
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BGIZUCQONQQINR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 41.33
Topological Polar Surface Area 44.48
Polarizability 15.87
Ring Count 2
Rotatable Bond Count 0

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98% <7 Days 76958-07-1 $45.54-$1,024.65$45.54$84.87$145.94$572.36$1,024.65
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