200,000+ products from a single source!
sales@angenechem.com
138616-62-3 | 2-Cyclohexen-1-one, 2-[(2-bromophenyl)methyl]-3-methyl-
CAS No: 138616-62-3 Catalog No: AG0018VC MDL No:
Product Description
Catalog Number:
AG0018VC
Chemical Name:
2-Cyclohexen-1-one, 2-[(2-bromophenyl)methyl]-3-methyl-
CAS Number:
138616-62-3
Molecular Formula:
C14H15BrO
Molecular Weight:
279.1723
IUPAC Name:
2-[(2-bromophenyl)methyl]-3-methylcyclohex-2-en-1-one
InChI:
InChI=1S/C14H15BrO/c1-10-5-4-8-14(16)12(10)9-11-6-2-3-7-13(11)15/h2-3,6-7H,4-5,8-9H2,1H3
InChI Key:
YULQYWSAXIJBKY-UHFFFAOYSA-N
SMILES:
CC1=C(Cc2ccccc2Br)C(=O)CCC1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.177g/mol
Monoisotopic Mass:
278.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.