Text Search
Structure Search

methyl 3-chloroisoquinoline-5-carboxylate

methyl 3-chloroisoquinoline-5-carboxylate

CAS: 1432514-90-3

Formula: C11H8ClNO2

SMILES: COC(=O)C1=CC=CC2=CN=C(Cl)C=C12

IUPAC: methyl 3-chloroisoquinoline-5-carboxylate

InChI: InChI=1S/C11H8ClNO2/c1-15-11(14)8-4-2-3-7-6-13-10(12)5-9(7)8/h2-6H,1H3

Composition: C (59.61%), H (3.64%), Cl (15.99%), N (6.32%), O (14.44%)

Molar Mass: 221.64

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 221.0243562
Formal Charge 0
FSP3 0.09
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey HQMJCGZZCAZVDO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.24
Topological Polar Surface Area 39.19
Polarizability 23.29
Ring Count 2
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 1432514-90-3 $206.80-$851.18$206.80$330.38$568.71$851.18
Request Quote