200,000+ products from a single source!
sales@angenechem.com
138825-96-4 | Benzoic acid, 2-(acetylamino)-5-bromo-, methyl ester
CAS No: 138825-96-4 Catalog No: AG0019MY MDL No:MFCD00144758
Product Description
Catalog Number:
AG0019MY
Chemical Name:
Benzoic acid, 2-(acetylamino)-5-bromo-, methyl ester
CAS Number:
138825-96-4
Molecular Formula:
C10H10BrNO3
Molecular Weight:
272.0953
MDL Number:
MFCD00144758
IUPAC Name:
methyl 2-acetamido-5-bromobenzoate
InChI:
InChI=1S/C10H10BrNO3/c1-6(13)12-9-4-3-7(11)5-8(9)10(14)15-2/h3-5H,1-2H3,(H,12,13)
InChI Key:
CPARHIBNDSEJGR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)ccc1NC(=O)C
EC Number:
604-097-6
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.098g/mol
Monoisotopic Mass:
270.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.