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Home > Nitro Compounds > 40310-37-0
40310-37-0 | (4-nitrophenyl)(thien-2-yl)methanol
CAS No: 40310-37-0 Catalog No: AG01DE3T MDL No:MFCD12022307
Product Description
Catalog Number:
AG01DE3T
Chemical Name:
(4-nitrophenyl)(thien-2-yl)methanol
CAS Number:
40310-37-0
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD12022307
IUPAC Name:
(4-nitrophenyl)-thiophen-2-ylmethanol
InChI:
InChI=1S/C11H9NO3S/c13-11(10-2-1-7-16-10)8-3-5-9(6-4-8)12(14)15/h1-7,11,13H
InChI Key:
ORFSPZRPZUTONK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(c1cccs1)O
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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