Home Nitro Compounds 100-27-6
100-27-6,MFCD00010202
Catalog No.:AA00003W
100-27-6 | Benzeneethanol, 4-nitro-
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5g
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10g
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25g
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100g
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  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00003W
Chemical Name:
Benzeneethanol, 4-nitro-
CAS Number:
100-27-6
Molecular Formula:
C8H9NO3
Molecular Weight:
167.1620
MDL Number:
MFCD00010202
IUPAC Name:
2-(4-nitrophenyl)ethanol
InChI:
InChI=1S/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H2
InChI Key:
IKMXRUOZUUKSON-UHFFFAOYSA-N
SMILES:
OCCc1ccc(cc1)[N+](=O)[O-]
EC Number:
202-835-8
NSC Number:
55519
Properties
Computed Properties
 
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.058g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.164g/mol
Monoisotopic Mass:
167.058g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
4-Nitrophenethyl alcohol 
100-27-6 
EINECS 202-835-8 
MFCD00010202 
NSC 55519 
BRN 1866148 
2-(4-nitro-phenyl)-ethanol 
AI3-36320 
4-Nitrophenethyl alcohol, 99% 
IKMXRUOZUUKSON-UHFFFAOYSA-N 
AKOS 90322 
4-nitrobenzene-ethanol 
2-(4-Nitrophenyl)ethanol 
4-Nitrophenethylalcohol 
PubChem14282 
AC1L1OVY 
DSSTox_CID_5764 
2-(p-nitrophenyl) ethanol 
HANSA DW211 
2-(4-nitrophenyl)-ethanol 
DSSTox_RID_77915 
DSSTox_GSID_25764 
Oprea1_314753 
4-Nitrobenzeneethanol 
AURORA KA-7063 
4-06-00-03083 (Beilstein Handbook Reference) 
KSC492K0B 
SCHEMBL250473 
ACMC-2097o2 
4-(2-Hydroxyethyl)nitrobenzene 
BETA-P-NITROPHENYLETHANOL 
Jsp000080 
CHEMBL1485974 
DTXSID7025764 
Benzeneethanol, 4-nitro- 
2-(4-Nitrophenyl)ethyl Alcohol 
CTK3J2500 
KS-00000WDK 
ACT01047 
BCP04523 
CS-M0671 
NSC55519 
ZINC1510307 
Tox21_200285 
ANW-14208 
P-NITROPHENETHYL ALCOHOL 
LS-299 
NSC-55519 
SBB058982 
AKOS000279533 
AKOS015967331 
AS00586 
LS10575 
MCULE-3775498091 
PS-4048 
RTR-000098 
2-(p-Nitrophenyl)ethanol 
NCGC00091653-01 
NCGC00091653-02 
NCGC00091653-03 
NCGC00257839-01 
AJ-26470 
AK-42427 
BR-42427 
CAS-100-27-6 
CJ-05137 
CJ-23779 
2-(4-nitrophenyl)ethan-1-ol 
P232 
SC-54372 
AB1002843 
DB-019472 
TR-000098 
FT-0608686 
N0569 
ST24032827 
ST51043291 
M-4175 
Phenethyl alcohol, p-nitro- 
100N276 
I01-1106 
W-108971 
InChI=1/C8H9NO3/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4,10H,5-6H 
4-nitrophenethylalkohol 
C8H9NO3 
CID7494 
C8-H9-N-O3 
4-Nitrobenzeneethanol, 99% - 10G 10g 
CCRIS 6079 
Literature

Title: Nucleosides. LXV. Synthesis of new pteridine-N8-nucleosides.

Journal: Nucleosides, nucleotides & nucleic acids 20040101

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