200,000+ products from a single source!
sales@angenechem.com
727673-69-0 | 3-{[(CHLOROACETYL)AMINO]METHYL}-4-METHYLBENZOIC ACID
CAS No: 727673-69-0 Catalog No: AG005F1A MDL No:MFCD05860657
Product Description
Catalog Number:
AG005F1A
Chemical Name:
3-{[(CHLOROACETYL)AMINO]METHYL}-4-METHYLBENZOIC ACID
CAS Number:
727673-69-0
Molecular Formula:
C11H12ClNO3
Molecular Weight:
241.6709
MDL Number:
MFCD05860657
IUPAC Name:
3-[[(2-chloroacetyl)amino]methyl]-4-methylbenzoic acid
InChI:
InChI=1S/C11H12ClNO3/c1-7-2-3-8(11(15)16)4-9(7)6-13-10(14)5-12/h2-4H,5-6H2,1H3,(H,13,14)(H,15,16)
InChI Key:
VYZGEFRTMAUBAV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CNC(=O)CCl)C(=O)O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.051g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
241.671g/mol
Monoisotopic Mass:
241.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.