200,000+ products from a single source!
sales@angenechem.com
114669-78-2 | 2-Butenoic acid, 4-[4-[bis(2-chloroethyl)amino]phenyl]-
CAS No: 114669-78-2 Catalog No: AG000F0C MDL No:
Product Description
Catalog Number:
AG000F0C
Chemical Name:
2-Butenoic acid, 4-[4-[bis(2-chloroethyl)amino]phenyl]-
CAS Number:
114669-78-2
Molecular Formula:
C14H17Cl2NO2
Molecular Weight:
302.1963
IUPAC Name:
4-[4-[bis(2-chloroethyl)amino]phenyl]but-2-enoic acid
InChI:
InChI=1S/C14H17Cl2NO2/c15-8-10-17(11-9-16)13-6-4-12(5-7-13)2-1-3-14(18)19/h1,3-7H,2,8-11H2,(H,18,19)
InChI Key:
AUNYHNXSFIQPES-UHFFFAOYSA-N
SMILES:
ClCCN(c1ccc(cc1)CC=CC(=O)O)CCCl
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.064g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.195g/mol
Monoisotopic Mass:
301.064g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.