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35480-95-6

35480-95-6 | Benzoic acid, 4-(1-methylethyl)-2-nitro-

CAS No: 35480-95-6 Catalog No: AG00IMCD MDL No:MFCD20483818

Product Description

Catalog Number:
AG00IMCD
Chemical Name:
Benzoic acid, 4-(1-methylethyl)-2-nitro-
CAS Number:
35480-95-6
MDL Number:
MFCD20483818
IUPAC Name:
2-nitro-4-propan-2-ylbenzoic acid
InChI:
InChI=1S/C10H11NO4/c1-6(2)7-3-4-8(10(12)13)9(5-7)11(14)15/h3-6H,1-2H3,(H,12,13)
InChI Key:
LMEMHNYHGJJMEK-UHFFFAOYSA-N

Properties

Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
209.201g/mol
Monoisotopic Mass:
209.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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