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878784-41-9 | Benzenamine, 4-(chloromethyl)-, hydrochloride (1:1)
CAS No: 878784-41-9 Catalog No: AG01F8WE MDL No:
Product Description
Catalog Number:
AG01F8WE
Chemical Name:
Benzenamine, 4-(chloromethyl)-, hydrochloride (1:1)
CAS Number:
878784-41-9
Molecular Formula:
C7H9Cl2N
Molecular Weight:
178.0591
IUPAC Name:
4-(chloromethyl)aniline;hydrochloride
InChI:
InChI=1S/C7H8ClN.ClH/c8-5-6-1-3-7(9)4-2-6;/h1-4H,5,9H2;1H
InChI Key:
DWWHTFYXAPNCRN-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)N.Cl
Properties
Complexity:
77
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.011g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.056g/mol
Monoisotopic Mass:
177.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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