200,000+ products from a single source!
sales@angenechem.com
1149388-50-0 | Benzoic acid, 4-(aminocarbonyl)-3-bromo-, methyl ester
CAS No: 1149388-50-0 Catalog No: AG000FGY MDL No:MFCD23135694
Product Description
Catalog Number:
AG000FGY
Chemical Name:
Benzoic acid, 4-(aminocarbonyl)-3-bromo-, methyl ester
CAS Number:
1149388-50-0
Molecular Formula:
C9H8BrNO3
Molecular Weight:
258.0687
MDL Number:
MFCD23135694
IUPAC Name:
methyl 3-bromo-4-carbamoylbenzoate
InChI:
InChI=1S/C9H8BrNO3/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H2,11,12)
InChI Key:
CBSQOUFIFNVGIG-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Br)C(=O)N
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.071g/mol
Monoisotopic Mass:
256.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.