200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87976-52-1
87976-52-1 | Benzene, [(2-nitroethoxy)methyl]-
CAS No: 87976-52-1 Catalog No: AG004IEQ MDL No:
Product Description
Catalog Number:
AG004IEQ
Chemical Name:
Benzene, [(2-nitroethoxy)methyl]-
CAS Number:
87976-52-1
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
IUPAC Name:
2-nitroethoxymethylbenzene
InChI:
InChI=1S/C9H11NO3/c11-10(12)6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChI Key:
SKOWTVRPDRCFSN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CCOCc1ccccc1
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.074g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.