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1311316-48-9 | N-butyl-3-iodoaniline hydrochloride
CAS No: 1311316-48-9 Catalog No: AG01AGV8 MDL No:MFCD18483176
Product Description
Catalog Number:
AG01AGV8
Chemical Name:
N-butyl-3-iodoaniline hydrochloride
CAS Number:
1311316-48-9
Molecular Formula:
C10H15ClIN
Molecular Weight:
311.5903
MDL Number:
MFCD18483176
IUPAC Name:
N-butyl-3-iodoaniline;hydrochloride
InChI:
InChI=1S/C10H14IN.ClH/c1-2-3-7-12-10-6-4-5-9(11)8-10;/h4-6,8,12H,2-3,7H2,1H3;1H
InChI Key:
QCHYKVAVCZUPMH-UHFFFAOYSA-N
SMILES:
CCCCNc1cccc(c1)I.Cl
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.994g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.591g/mol
Monoisotopic Mass:
310.994g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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