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861299-14-1 | 4-Chloro-2-anisidine hydrochloride
CAS No: 861299-14-1 Catalog No: AG0036DF MDL No:MFCD00068437
Product Description
Catalog Number:
AG0036DF
Chemical Name:
4-Chloro-2-anisidine hydrochloride
CAS Number:
861299-14-1
Molecular Formula:
C7H9Cl2NO
Molecular Weight:
194.0585
MDL Number:
MFCD00068437
IUPAC Name:
4-chloro-2-methoxyaniline;hydrochloride
InChI:
InChI=1S/C7H8ClNO.ClH/c1-10-7-4-5(8)2-3-6(7)9;/h2-4H,9H2,1H3;1H
InChI Key:
ZWGTWKFPYRUXKT-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)ccc1N.Cl
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.006g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.055g/mol
Monoisotopic Mass:
193.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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