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13940-96-0 | 1,2-Benzenediamine, 4-phenoxy-
CAS No: 13940-96-0 Catalog No: AG001AXV MDL No:MFCD09038592
Product Description
Catalog Number:
AG001AXV
Chemical Name:
1,2-Benzenediamine, 4-phenoxy-
CAS Number:
13940-96-0
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD09038592
IUPAC Name:
4-phenoxybenzene-1,2-diamine
InChI:
InChI=1S/C12H12N2O/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H,13-14H2
InChI Key:
FJVIHKKXPLPDSV-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1N)Oc1ccccc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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