200,000+ products from a single source!
sales@angenechem.com
89078-26-2 | Carbamic acid, (3,5-dimethylphenyl)-, 4-chloro-2-butynyl ester
CAS No: 89078-26-2 Catalog No: AG0040XO MDL No:
Product Description
Catalog Number:
AG0040XO
Chemical Name:
Carbamic acid, (3,5-dimethylphenyl)-, 4-chloro-2-butynyl ester
CAS Number:
89078-26-2
Molecular Formula:
C13H14ClNO2
Molecular Weight:
251.7088
IUPAC Name:
4-chlorobut-2-ynyl N-(3,5-dimethylphenyl)carbamate
InChI:
InChI=1S/C13H14ClNO2/c1-10-7-11(2)9-12(8-10)15-13(16)17-6-4-3-5-14/h7-9H,5-6H2,1-2H3,(H,15,16)
InChI Key:
XPYDGCROCWPGSA-UHFFFAOYSA-N
SMILES:
ClCC#CCOC(=O)Nc1cc(C)cc(c1)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.071g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.71g/mol
Monoisotopic Mass:
251.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.