200,000+ products from a single source!
sales@angenechem.com
Home > Aldehydes > 130766-91-5
130766-91-5 | Benzaldehyde, 4-(1-methylethyl)-3-nitro-
CAS No: 130766-91-5 Catalog No: AG000UXG MDL No:MFCD03820045
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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.