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177080-35-2 | Phenol, 4-[(3-hydroxypropyl)amino]-2-nitro-
CAS No: 177080-35-2 Catalog No: AG00253T MDL No:
Product Description
Catalog Number:
AG00253T
Chemical Name:
Phenol, 4-[(3-hydroxypropyl)amino]-2-nitro-
CAS Number:
177080-35-2
Molecular Formula:
C9H12N2O4
Molecular Weight:
212.2026
IUPAC Name:
4-(3-hydroxypropylamino)-2-nitrophenol
InChI:
InChI=1S/C9H12N2O4/c12-5-1-4-10-7-2-3-9(13)8(6-7)11(14)15/h2-3,6,10,12-13H,1,4-5H2
InChI Key:
OQLFZVCVCTXDQZ-UHFFFAOYSA-N
SMILES:
OCCCNc1ccc(c(c1)[N+](=O)[O-])O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
212.205g/mol
Monoisotopic Mass:
212.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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