200,000+ products from a single source!
sales@angenechem.com
951016-29-8 | Methyl 4-bromo-2-methyl-3-nitrobenzoate
CAS No: 951016-29-8 Catalog No: AG01FCHO MDL No:
Product Description
Catalog Number:
AG01FCHO
Chemical Name:
Methyl 4-bromo-2-methyl-3-nitrobenzoate
CAS Number:
951016-29-8
Molecular Formula:
C9H8BrNO4
Molecular Weight:
274.0681
IUPAC Name:
methyl 4-bromo-2-methyl-3-nitrobenzoate
InChI:
InChI=1S/C9H8BrNO4/c1-5-6(9(12)15-2)3-4-7(10)8(5)11(13)14/h3-4H,1-2H3
InChI Key:
SFOUMZZLBCFDEN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1C)[N+](=O)[O-])Br
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.964g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.07g/mol
Monoisotopic Mass:
272.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.