Home Halogens Isoxazole, 5-(bromomethyl)-3-(4-methylphenyl)-

Isoxazole, 5-(bromomethyl)-3-(4-methylphenyl)-

CAS No.:
129135-66-6
Catalog Number:
AG000YWB
Molecular Formula:
C11H10BrNO
Molecular Weight:
252.1072
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Product Description
Catalog Number:
AG000YWB
Chemical Name:
Isoxazole, 5-(bromomethyl)-3-(4-methylphenyl)-
CAS Number:
129135-66-6
Molecular Formula:
C11H10BrNO
Molecular Weight:
252.1072
MDL Number:
MFCD06738485
IUPAC Name:
5-(bromomethyl)-3-(4-methylphenyl)-1,2-oxazole
InChI:
InChI=1S/C11H10BrNO/c1-8-2-4-9(5-3-8)11-6-10(7-12)14-13-11/h2-6H,7H2,1H3
InChI Key:
FPRJQQSZPBCSGO-UHFFFAOYSA-N
SMILES:
BrCc1onc(c1)c1ccc(cc1)C
Properties
Complexity:
180  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.995g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.111g/mol
Monoisotopic Mass:
250.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties