200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 31027-31-3
31027-31-3 | 4-Isopropylphenyl isocyanate
CAS No: 31027-31-3 Catalog No: AG003LLO MDL No:MFCD00013880
Product Description
Catalog Number:
AG003LLO
Chemical Name:
4-Isopropylphenyl isocyanate
CAS Number:
31027-31-3
Molecular Formula:
C10H11NO
Molecular Weight:
161.2004
MDL Number:
MFCD00013880
IUPAC Name:
1-isocyanato-4-propan-2-ylbenzene
InChI:
InChI=1S/C10H11NO/c1-8(2)9-3-5-10(6-4-9)11-7-12/h3-6,8H,1-2H3
InChI Key:
PJVRNNRZWASOIT-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)N=C=O)C
EC Number:
250-439-9
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.084g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.204g/mol
Monoisotopic Mass:
161.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
Literature
| Title | Journal |
|---|---|
| Intramolecular carbon and nitrogen isotope analysis by quantitative dry fragmentation of the phenylurea herbicide isoproturon in a combined injector/capillary reactor prior to GC separation. | Analytical chemistry 20071101 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.