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180597-83-5 | Isoxazole, 4-(bromomethyl)-5-methyl-3-phenyl-
CAS No: 180597-83-5 Catalog No: AG00224Z MDL No:MFCD02677680
Product Description
Catalog Number:
AG00224Z
Chemical Name:
Isoxazole, 4-(bromomethyl)-5-methyl-3-phenyl-
CAS Number:
180597-83-5
Molecular Formula:
C11H10BrNO
Molecular Weight:
252.1072
MDL Number:
MFCD02677680
IUPAC Name:
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C11H10BrNO/c1-8-10(7-12)11(13-14-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
UICMWXWMCOJBIQ-UHFFFAOYSA-N
SMILES:
BrCc1c(C)onc1c1ccccc1
Properties
Complexity:
182
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
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