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16428-47-0 | Benzenemethanol, α-(aminomethyl)-4-nitro-
CAS No: 16428-47-0 Catalog No: AG001UR1 MDL No:MFCD00182654
Product Description
Catalog Number:
AG001UR1
Chemical Name:
Benzenemethanol, α-(aminomethyl)-4-nitro-
CAS Number:
16428-47-0
Molecular Formula:
C8H10N2O3
Molecular Weight:
182.1766
MDL Number:
MFCD00182654
IUPAC Name:
2-amino-1-(4-nitrophenyl)ethanol
InChI:
InChI=1S/C8H10N2O3/c9-5-8(11)6-1-3-7(4-2-6)10(12)13/h1-4,8,11H,5,9H2
InChI Key:
DZOWZBGCZPHHLM-UHFFFAOYSA-N
SMILES:
NCC(c1ccc(cc1)[N+](=O)[O-])O
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.179g/mol
Monoisotopic Mass:
182.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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