200,000+ products from a single source!
sales@angenechem.com
24812-96-2 | Benzoic acid, 3-[bis(2-chloroethyl)amino]-4-methoxy-
CAS No: 24812-96-2 Catalog No: AG002PJM MDL No:
Product Description
Catalog Number:
AG002PJM
Chemical Name:
Benzoic acid, 3-[bis(2-chloroethyl)amino]-4-methoxy-
CAS Number:
24812-96-2
Molecular Formula:
C12H15Cl2NO3
Molecular Weight:
292.1584
IUPAC Name:
3-[bis(2-chloroethyl)amino]-4-methoxybenzoic acid
InChI:
InChI=1S/C12H15Cl2NO3/c1-18-11-3-2-9(12(16)17)8-10(11)15(6-4-13)7-5-14/h2-3,8H,4-7H2,1H3,(H,16,17)
InChI Key:
PKFSXBZXFYABSS-UHFFFAOYSA-N
SMILES:
ClCCN(c1cc(ccc1OC)C(=O)O)CCCl
NSC Number:
146172
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.043g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.156g/mol
Monoisotopic Mass:
291.043g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^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.