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127842-62-0 | Benzenemethanamine, 4-(difluoromethoxy)-, hydrochloride (1:1)
CAS No: 127842-62-0 Catalog No: AG000XHB MDL No:
Product Description
Catalog Number:
AG000XHB
Chemical Name:
Benzenemethanamine, 4-(difluoromethoxy)-, hydrochloride (1:1)
CAS Number:
127842-62-0
Molecular Formula:
C8H10ClF2NO
Molecular Weight:
209.6209
IUPAC Name:
[4-(difluoromethoxy)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C8H9F2NO.ClH/c9-8(10)12-7-3-1-6(5-11)2-4-7;/h1-4,8H,5,11H2;1H
InChI Key:
KMDYCKHBYJKSII-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)OC(F)F.Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
209.621g/mol
Monoisotopic Mass:
209.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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