Home Halogens (4,5-dichloro-1-methyl-1H-pyrrol-2-yl)methanamine

(4,5-dichloro-1-methyl-1H-pyrrol-2-yl)methanamine

CAS No.:
1394040-32-4
Catalog Number:
AG019ZOE
Molecular Formula:
C6H8Cl2N2
Molecular Weight:
179.0471
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Product Description
Catalog Number:
AG019ZOE
Chemical Name:
(4,5-dichloro-1-methyl-1H-pyrrol-2-yl)methanamine
CAS Number:
1394040-32-4
Molecular Formula:
C6H8Cl2N2
Molecular Weight:
179.0471
MDL Number:
MFCD22375274
IUPAC Name:
(4,5-dichloro-1-methylpyrrol-2-yl)methanamine
InChI:
InChI=1S/C6H8Cl2N2/c1-10-4(3-9)2-5(7)6(10)8/h2H,3,9H2,1H3
InChI Key:
IUPUOLMCPVTDQN-UHFFFAOYSA-N
SMILES:
NCc1cc(c(n1C)Cl)Cl
Properties
Complexity:
120  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.006g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.044g/mol
Monoisotopic Mass:
178.006g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
31A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties