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89448-40-8 | Bicyclo[2.1.1]hexan-2-ol, 2-(aminomethyl)-1-chloro-, hydrochloride
CAS No: 89448-40-8 Catalog No: AG0042W9 MDL No:
Product Description
Catalog Number:
AG0042W9
Chemical Name:
Bicyclo[2.1.1]hexan-2-ol, 2-(aminomethyl)-1-chloro-, hydrochloride
CAS Number:
89448-40-8
Molecular Formula:
C7H13Cl2NO
Molecular Weight:
198.0902
IUPAC Name:
2-(aminomethyl)-1-chlorobicyclo[2.1.1]hexan-2-ol;hydrochloride
InChI:
InChI=1S/C7H12ClNO.ClH/c8-6-1-5(2-6)3-7(6,10)4-9;/h5,10H,1-4,9H2;1H
InChI Key:
VTBUCBPDWPEGSZ-UHFFFAOYSA-N
SMILES:
NCC1(O)CC2CC1(Cl)C2.Cl
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.037g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
198.087g/mol
Monoisotopic Mass:
197.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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