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147937-36-8

147937-36-8 | Isoquinoline, 3-(chloromethyl)-

CAS No: 147937-36-8 Catalog No: AG001FAG MDL No:MFCD17170389

Product Description

Catalog Number:
AG001FAG
Chemical Name:
Isoquinoline, 3-(chloromethyl)-
CAS Number:
147937-36-8
Molecular Formula:
C10H8ClN
Molecular Weight:
177.6302
MDL Number:
MFCD17170389
IUPAC Name:
3-(chloromethyl)isoquinoline
InChI:
InChI=1S/C10H8ClN/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-5,7H,6H2
InChI Key:
RWMIUVLOQIOJGB-UHFFFAOYSA-N
SMILES:
ClCc1ncc2c(c1)cccc2

Properties

Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.035g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.631g/mol
Monoisotopic Mass:
177.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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