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101-18-8 | Phenol, 3-(phenylamino)-
CAS No: 101-18-8 Catalog No: AG0003FP MDL No:MFCD00002262
Product Description
Catalog Number:
AG0003FP
Chemical Name:
Phenol, 3-(phenylamino)-
CAS Number:
101-18-8
Molecular Formula:
C12H11NO
Molecular Weight:
185.2218
MDL Number:
MFCD00002262
IUPAC Name:
3-anilinophenol
InChI:
InChI=1S/C12H11NO/c14-12-8-4-7-11(9-12)13-10-5-2-1-3-6-10/h1-9,13-14H
InChI Key:
NDACNGSDAFKTGE-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)Nc1ccccc1
EC Number:
202-923-6
UNII:
E39Q946GO3
NSC Number:
56930
UN Number:
2512
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.084g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
185.226g/mol
Monoisotopic Mass:
185.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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