200,000+ products from a single source!
sales@angenechem.com
81729-46-6 | Ethanone, 2-chloro-1-[1-[(2-nitrophenyl)methyl]-1H-pyrrol-2-yl]-
CAS No: 81729-46-6 Catalog No: AG005ITW MDL No:
Product Description
Catalog Number:
AG005ITW
Chemical Name:
Ethanone, 2-chloro-1-[1-[(2-nitrophenyl)methyl]-1H-pyrrol-2-yl]-
CAS Number:
81729-46-6
Molecular Formula:
C13H11ClN2O3
Molecular Weight:
278.6910
IUPAC Name:
2-chloro-1-[1-[(2-nitrophenyl)methyl]pyrrol-2-yl]ethanone
InChI:
InChI=1S/C13H11ClN2O3/c14-8-13(17)12-6-3-7-15(12)9-10-4-1-2-5-11(10)16(18)19/h1-7H,8-9H2
InChI Key:
ZTLMHTODPZTQQO-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cccn1Cc1ccccc1[N+](=O)[O-]
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.692g/mol
Monoisotopic Mass:
278.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.8A^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.