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88237-16-5 | Isoquinoline, 1-(dichloromethyl)-
CAS No: 88237-16-5 Catalog No: AG004B55 MDL No:
Product Description
Catalog Number:
AG004B55
Chemical Name:
Isoquinoline, 1-(dichloromethyl)-
CAS Number:
88237-16-5
Molecular Formula:
C10H7Cl2N
Molecular Weight:
212.0753
IUPAC Name:
1-(dichloromethyl)isoquinoline
InChI:
InChI=1S/C10H7Cl2N/c11-10(12)9-8-4-2-1-3-7(8)5-6-13-9/h1-6,10H
InChI Key:
NJQVYZQWQIEQKH-UHFFFAOYSA-N
SMILES:
ClC(c1nccc2c1cccc2)Cl
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.996g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.073g/mol
Monoisotopic Mass:
210.996g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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