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851402-83-0 | Phenol, 4-bromo-2-(5-bromo-2-benzoxazolyl)-
CAS No: 851402-83-0 Catalog No: AG004WT9 MDL No:
Product Description
Catalog Number:
AG004WT9
Chemical Name:
Phenol, 4-bromo-2-(5-bromo-2-benzoxazolyl)-
CAS Number:
851402-83-0
Molecular Formula:
C13H7Br2NO2
Molecular Weight:
369.0082
IUPAC Name:
4-bromo-2-(5-bromo-1,3-benzoxazol-2-yl)phenol
InChI:
InChI=1S/C13H7Br2NO2/c14-7-1-3-11(17)9(5-7)13-16-10-6-8(15)2-4-12(10)18-13/h1-6,17H
InChI Key:
AXPAPDORAHTMIQ-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)c1oc2c(n1)cc(cc2)Br)O
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.882g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
369.012g/mol
Monoisotopic Mass:
366.884g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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