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82340-00-9 | Benzenamine, 3-chloro-4-[4-(1,1-dimethylethyl)phenoxy]-
CAS No: 82340-00-9 Catalog No: AG005DXK MDL No:
Product Description
Catalog Number:
AG005DXK
Chemical Name:
Benzenamine, 3-chloro-4-[4-(1,1-dimethylethyl)phenoxy]-
CAS Number:
82340-00-9
Molecular Formula:
C16H18ClNO
Molecular Weight:
275.7732
IUPAC Name:
4-(4-tert-butylphenoxy)-3-chloroaniline
InChI:
InChI=1S/C16H18ClNO/c1-16(2,3)11-4-7-13(8-5-11)19-15-9-6-12(18)10-14(15)17/h4-10H,18H2,1-3H3
InChI Key:
DWWQSGQVBXVJDG-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)Oc1ccc(cc1)C(C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.776g/mol
Monoisotopic Mass:
275.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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