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59548-39-9

59548-39-9 | 4-Methoxybenzene-1,2-diamine dihydrochloride

CAS No: 59548-39-9 Catalog No: AG003LO1 MDL No:MFCD00052003

Product Description

Catalog Number:
AG003LO1
Chemical Name:
4-Methoxybenzene-1,2-diamine dihydrochloride
CAS Number:
59548-39-9
Molecular Formula:
C7H12Cl2N2O
Molecular Weight:
211.0890
MDL Number:
MFCD00052003
IUPAC Name:
4-methoxybenzene-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C7H10N2O.2ClH/c1-10-5-2-3-6(8)7(9)4-5;;/h2-4H,8-9H2,1H3;2*1H
InChI Key:
SXCHMHOBHJOXGC-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)N)N.Cl.Cl
EC Number:
261-801-0

Properties

Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.033g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
211.086g/mol
Monoisotopic Mass:
210.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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