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203634-91-7

203634-91-7 | 5-Isoxazolemethanol, 3-(4-bromophenyl)-4,5-dihydro-

CAS No: 203634-91-7 Catalog No: AG00291A MDL No:

Product Description

Catalog Number:
AG00291A
Chemical Name:
5-Isoxazolemethanol, 3-(4-bromophenyl)-4,5-dihydro-
CAS Number:
203634-91-7
Molecular Formula:
C10H10BrNO2
Molecular Weight:
256.0959
IUPAC Name:
[3-(4-bromophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanol
InChI:
InChI=1S/C10H10BrNO2/c11-8-3-1-7(2-4-8)10-5-9(6-13)14-12-10/h1-4,9,13H,5-6H2
InChI Key:
GGIWECLXRZECPP-UHFFFAOYSA-N
SMILES:
OCC1ON=C(C1)c1ccc(cc1)Br

Properties

Complexity:
224  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.989g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.099g/mol
Monoisotopic Mass:
254.989g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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