200,000+ products from a single source!
sales@angenechem.com
131852-50-1 | Benzoic acid, 4-(dibromomethyl)-, methyl ester
CAS No: 131852-50-1 Catalog No: AG000ZUD MDL No:MFCD03147229
Product Description
Catalog Number:
AG000ZUD
Chemical Name:
Benzoic acid, 4-(dibromomethyl)-, methyl ester
CAS Number:
131852-50-1
Molecular Formula:
C9H8Br2O2
Molecular Weight:
307.9666
MDL Number:
MFCD03147229
IUPAC Name:
methyl 4-(dibromomethyl)benzoate
InChI:
InChI=1S/C9H8Br2O2/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5,8H,1H3
InChI Key:
ZFNOTEGYJUCJML-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)C(Br)Br
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.887g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.969g/mol
Monoisotopic Mass:
305.889g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.