Home Aldehydes Benzaldehyde, 4-(1-methylethyl)-3-nitro-

Benzaldehyde, 4-(1-methylethyl)-3-nitro-

CAS No.:
130766-91-5
Catalog Number:
AG000UXG
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
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Product Description
Catalog Number:
AG000UXG
Chemical Name:
Benzaldehyde, 4-(1-methylethyl)-3-nitro-
CAS Number:
130766-91-5
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD03820045
IUPAC Name:
3-nitro-4-propan-2-ylbenzaldehyde
InChI:
InChI=1S/C10H11NO3/c1-7(2)9-4-3-8(6-12)5-10(9)11(13)14/h3-7H,1-2H3
InChI Key:
VUYAJVSQKPFUSL-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(c(c1)[N+](=O)[O-])C(C)C
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.074g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.202g/mol
Monoisotopic Mass:
193.074g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties