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137946-73-7 | Phenol, 4-[1-[4-(3-amino-4-nitrophenoxy)phenyl]-1-methylethyl]-
CAS No: 137946-73-7 Catalog No: AG0017PT MDL No:
Product Description
Catalog Number:
AG0017PT
Chemical Name:
Phenol, 4-[1-[4-(3-amino-4-nitrophenoxy)phenyl]-1-methylethyl]-
CAS Number:
137946-73-7
Molecular Formula:
C21H20N2O4
Molecular Weight:
364.3945
IUPAC Name:
4-[2-[4-(3-amino-4-nitrophenoxy)phenyl]propan-2-yl]phenol
InChI:
InChI=1S/C21H20N2O4/c1-21(2,14-3-7-16(24)8-4-14)15-5-9-17(10-6-15)27-18-11-12-20(23(25)26)19(22)13-18/h3-13,24H,22H2,1-2H3
InChI Key:
AYGRRZKUZNHSHF-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C(c1ccc(cc1)Oc1ccc(c(c1)N)[N+](=O)[O-])(C)C
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.401g/mol
Monoisotopic Mass:
364.142g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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