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132997-77-4 | Isoquinoline, 1-chloro-6-methoxy-
CAS No: 132997-77-4 Catalog No: AG0011GF MDL No:MFCD06738659
Product Description
Catalog Number:
AG0011GF
Chemical Name:
Isoquinoline, 1-chloro-6-methoxy-
CAS Number:
132997-77-4
Molecular Formula:
C10H8ClNO
Molecular Weight:
193.6296
MDL Number:
MFCD06738659
IUPAC Name:
1-chloro-6-methoxyisoquinoline
InChI:
InChI=1S/C10H8ClNO/c1-13-8-2-3-9-7(6-8)4-5-12-10(9)11/h2-6H,1H3
InChI Key:
UTZJYSXOFHCSGZ-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)ccnc2Cl
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.63g/mol
Monoisotopic Mass:
193.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
22.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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