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119162-53-7 | 5-Isoxazolamine, 3-(4-bromophenyl)-
CAS No: 119162-53-7 Catalog No: AG000I9W MDL No:MFCD06199354
Product Description
Catalog Number:
AG000I9W
Chemical Name:
5-Isoxazolamine, 3-(4-bromophenyl)-
CAS Number:
119162-53-7
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD06199354
IUPAC Name:
3-(4-bromophenyl)-1,2-oxazol-5-amine
InChI:
InChI=1S/C9H7BrN2O/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5H,11H2
InChI Key:
RKWRDXQHQYRFCX-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)c1noc(c1)N
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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