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1194752-34-5 | Benzenemethanamine, 4-(chloromethyl)-, hydrochloride (1:1)
CAS No: 1194752-34-5 Catalog No: AG000IUR MDL No:
Product Description
Catalog Number:
AG000IUR
Chemical Name:
Benzenemethanamine, 4-(chloromethyl)-, hydrochloride (1:1)
CAS Number:
1194752-34-5
Molecular Formula:
C8H11Cl2N
Molecular Weight:
192.0856
IUPAC Name:
[4-(chloromethyl)phenyl]methanamine;hydrochloride
InChI:
InChI=1S/C8H10ClN.ClH/c9-5-7-1-3-8(6-10)4-2-7;/h1-4H,5-6,10H2;1H
InChI Key:
JHQBDWOURBEZFD-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)CCl.Cl
Properties
Complexity:
87.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
192.083g/mol
Monoisotopic Mass:
191.027g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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