Home Other Building Blocks 2-ISOPROPYL-4-NITROPHENOL

2-ISOPROPYL-4-NITROPHENOL

CAS No.:
60515-72-2
Catalog Number:
AG00EG2Q
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
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Product Description
Catalog Number:
AG00EG2Q
Chemical Name:
2-ISOPROPYL-4-NITROPHENOL
CAS Number:
60515-72-2
Molecular Formula:
C9H11NO3
Molecular Weight:
181.1885
MDL Number:
MFCD09749960
IUPAC Name:
4-nitro-2-propan-2-ylphenol
InChI:
InChI=1S/C9H11NO3/c1-6(2)8-5-7(10(12)13)3-4-9(8)11/h3-6,11H,1-2H3
InChI Key:
YVSKFUMSIJTGTO-UHFFFAOYSA-N
SMILES:
CC(c1cc(ccc1O)[N+](=O)[O-])C
Properties
Complexity:
188  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
181.191g/mol
Monoisotopic Mass:
181.074g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties