200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 1310531-91-9
1310531-91-9 | 4-chloro-2-(1H-1,2,4-triazol-1-yl)benzaldehyde
CAS No: 1310531-91-9 Catalog No: AG01BGC8 MDL No:MFCD28125083
Product Description
Catalog Number:
AG01BGC8
Chemical Name:
4-chloro-2-(1H-1,2,4-triazol-1-yl)benzaldehyde
CAS Number:
1310531-91-9
Molecular Formula:
C9H6ClN3O
Molecular Weight:
207.6164
MDL Number:
MFCD28125083
IUPAC Name:
4-chloro-2-(1,2,4-triazol-1-yl)benzaldehyde
InChI:
InChI=1S/C9H6ClN3O/c10-8-2-1-7(4-14)9(3-8)13-6-11-5-12-13/h1-6H
InChI Key:
KEQBBMHQXVRVRP-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1n1cncn1)Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.617g/mol
Monoisotopic Mass:
207.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Related Products
© 2019 Angene International Limited. All rights Reserved.