200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 102561-40-0
102561-40-0 | Benzene, 1-isocyanato-4,5-dimethyl-2-nitro-
CAS No: 102561-40-0 Catalog No: AG0007PI MDL No:MFCD00037064
Product Description
Catalog Number:
AG0007PI
Chemical Name:
Benzene, 1-isocyanato-4,5-dimethyl-2-nitro-
CAS Number:
102561-40-0
Molecular Formula:
C9H8N2O3
Molecular Weight:
192.1714
MDL Number:
MFCD00037064
IUPAC Name:
1-isocyanato-4,5-dimethyl-2-nitrobenzene
InChI:
InChI=1S/C9H8N2O3/c1-6-3-8(10-5-12)9(11(13)14)4-7(6)2/h3-4H,1-2H3
InChI Key:
JWDCMBHOPBMPPZ-UHFFFAOYSA-N
SMILES:
O=C=Nc1cc(C)c(cc1[N+](=O)[O-])C
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.053g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.174g/mol
Monoisotopic Mass:
192.053g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.