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Home > Nitro Compounds > 80171-39-7
80171-39-7 | 1-(ethoxymethyl)-3-nitrobenzene
CAS No: 80171-39-7 Catalog No: AG00G8NB MDL No:
Product Description
Catalog Number:
AG00G8NB
Chemical Name:
1-(ethoxymethyl)-3-nitrobenzene
CAS Number:
80171-39-7
IUPAC Name:
1-(ethoxymethyl)-3-nitrobenzene
InChI:
InChI=1S/C9H11NO3/c1-2-13-7-8-4-3-5-9(6-8)10(11)12/h3-6H,2,7H2,1H3
InChI Key:
VPUMBFVYZSOPAJ-UHFFFAOYSA-N
Properties
Complexity:
167
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:
3
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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