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1172831-13-8 | [1,1'-Biphenyl]-3-amine, 4'-chloro-, hydrochloride (1:1)
CAS No: 1172831-13-8 Catalog No: AG000E1J MDL No:MFCD08445547
Product Description
Catalog Number:
AG000E1J
Chemical Name:
[1,1'-Biphenyl]-3-amine, 4'-chloro-, hydrochloride (1:1)
CAS Number:
1172831-13-8
Molecular Formula:
C12H11Cl2N
Molecular Weight:
240.1284
MDL Number:
MFCD08445547
IUPAC Name:
3-(4-chlorophenyl)aniline;hydrochloride
InChI:
InChI=1S/C12H10ClN.ClH/c13-11-6-4-9(5-7-11)10-2-1-3-12(14)8-10;/h1-8H,14H2;1H
InChI Key:
PJYZPIWBWVWHCJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1cccc(c1)N.Cl
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.027g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.127g/mol
Monoisotopic Mass:
239.027g/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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