Name: Name:Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)-
Brand: Angene
SKU: AG0007PF
Rating: 90 (10 reviews)

Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)-

CAS No.:

102561-43-3

Catalog Number:

AG0007PF

Molecular Formula:

C11H13NO

Molecular Weight:

175.2270

Catalog Number:

AG0007PF

Chemical Name:

Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)-

CAS Number:

102561-43-3

Molecular Formula:

C11H13NO

Molecular Weight:

175.2270

MDL Number:

MFCD00019911

IUPAC Name:

2-isocyanato-1-methyl-3-propan-2-ylbenzene

InChI:

InChI=1S/C11H13NO/c1-8(2)10-6-4-5-9(3)11(10)12-7-13/h4-6,8H,1-3H3

InChI Key:

PGHDAVZHFWFZJK-UHFFFAOYSA-N

SMILES:

O=C=Nc1c(C)cccc1C(C)C

Complexity:

206

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.1g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.231g/mol

Monoisotopic Mass:

175.1g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

29.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2