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5-chloro-2-formylbenzoic acid

5-chloro-2-formylbenzoic acid

CAS: 4506-45-0

Formula: C8H5ClO3

SMILES: OC(=O)C1=CC(Cl)=CC=C1C=O

IUPAC: 5-chloro-2-formylbenzoic acid

InChI: InChI=1S/C8H5ClO3/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-4H,(H,11,12)

Composition: C (52.06%), H (2.73%), Cl (19.21%), O (26.00%)

Molar Mass: 184.58

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 183.9927217
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NQAMSLASTWZONN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.7
Topological Polar Surface Area 54.37
Polarizability 16.53
Ring Count 1
Rotatable Bond Count 2

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98% <5 Days 4506-45-0 $590.00-$1,560.00$590.00$1,560.00
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