200,000+ products from a single source!
sales@angenechem.com
129075-90-7 | 4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2-chloroaniline
CAS No: 129075-90-7 Catalog No: AG01F8GM MDL No:
Product Description
Catalog Number:
AG01F8GM
Chemical Name:
4-(1H-1,2,3-Benzotriazol-1-ylmethyl)-2-chloroaniline
CAS Number:
129075-90-7
Molecular Formula:
C13H11ClN4
Molecular Weight:
258.7062
IUPAC Name:
4-(benzotriazol-1-ylmethyl)-2-chloroaniline
InChI:
InChI=1S/C13H11ClN4/c14-10-7-9(5-6-11(10)15)8-18-13-4-2-1-3-12(13)16-17-18/h1-7H,8,15H2
InChI Key:
XDMFCHBHEOJXAT-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1Cl)Cn1nnc2c1cccc2
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.709g/mol
Monoisotopic Mass:
258.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Related Products
© 2019 Angene International Limited. All rights Reserved.