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957035-41-5

957035-41-5 | 4,5-Dichloro-N1-isobutylbenzene-1,2-diamine hydrochloride

CAS No: 957035-41-5 Catalog No: AG003KHM MDL No:MFCD09475890

Product Description

Catalog Number:
AG003KHM
Chemical Name:
4,5-Dichloro-N1-isobutylbenzene-1,2-diamine hydrochloride
CAS Number:
957035-41-5
Molecular Formula:
C10H15Cl3N2
Molecular Weight:
269.5985
MDL Number:
MFCD09475890
IUPAC Name:
4,5-dichloro-2-N-(2-methylpropyl)benzene-1,2-diamine;hydrochloride
InChI:
InChI=1S/C10H14Cl2N2.ClH/c1-6(2)5-14-10-4-8(12)7(11)3-9(10)13;/h3-4,6,14H,5,13H2,1-2H3;1H
InChI Key:
AFTKEWSQGGSBNV-UHFFFAOYSA-N
SMILES:
CC(CNc1cc(Cl)c(cc1N)Cl)C.Cl

Properties

Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.03g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
269.594g/mol
Monoisotopic Mass:
268.03g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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