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21902-40-9

21902-40-9 | 1,3-Dichloro-5-methylisoquinoline

CAS No: 21902-40-9 Catalog No: AG00385S MDL No:MFCD11110656

Product Description

Catalog Number:
AG00385S
Chemical Name:
1,3-Dichloro-5-methylisoquinoline
CAS Number:
21902-40-9
Molecular Formula:
C10H7Cl2N
Molecular Weight:
212.0753
MDL Number:
MFCD11110656
IUPAC Name:
1,3-dichloro-5-methylisoquinoline
InChI:
InChI=1S/C10H7Cl2N/c1-6-3-2-4-7-8(6)5-9(11)13-10(7)12/h2-5H,1H3
InChI Key:
LDSLPCOBAYAVEI-UHFFFAOYSA-N
SMILES:
Clc1nc(Cl)c2c(c1)c(C)ccc2

Properties

Complexity:
186  
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:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

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