200,000+ products from a single source!
sales@angenechem.com
113841-59-1 | Isoxazole, 4-(bromomethyl)-3-methyl-5-phenyl-
CAS No: 113841-59-1 Catalog No: AG0009V9 MDL No:MFCD03086124
Product Description
Catalog Number:
AG0009V9
Chemical Name:
Isoxazole, 4-(bromomethyl)-3-methyl-5-phenyl-
CAS Number:
113841-59-1
Molecular Formula:
C11H10BrNO
Molecular Weight:
252.1072
MDL Number:
MFCD03086124
IUPAC Name:
4-(bromomethyl)-3-methyl-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C11H10BrNO/c1-8-10(7-12)11(14-13-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChI Key:
KCGVZUOBUPWFJC-UHFFFAOYSA-N
SMILES:
BrCc1c(C)noc1c1ccccc1
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.