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114059-99-3 | Benzenamine, 2-(chloromethyl)-
CAS No: 114059-99-3 Catalog No: AG000AGB MDL No:
Product Description
Catalog Number:
AG000AGB
Chemical Name:
Benzenamine, 2-(chloromethyl)-
CAS Number:
114059-99-3
Molecular Formula:
C7H8ClN
Molecular Weight:
141.5981
IUPAC Name:
2-(chloromethyl)aniline
InChI:
InChI=1S/C7H8ClN/c8-5-6-3-1-2-4-7(6)9/h1-4H,5,9H2
InChI Key:
JFJQMUQRTCGSFC-UHFFFAOYSA-N
SMILES:
ClCc1ccccc1N
Properties
Complexity:
85
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.035g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.598g/mol
Monoisotopic Mass:
141.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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