Name: Name:Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI)
Brand: Angene
SKU: AG0001GY
Rating: 90 (10 reviews)

Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI)

CAS No.:

100282-49-3

Catalog Number:

AG0001GY

Molecular Formula:

C12H16ClNO2

Molecular Weight:

241.7139

Catalog Number:

AG0001GY

Chemical Name:

Carbamic acid, (3-chloro-4-methylphenyl)-, 1,1-dimethylethyl ester (9CI)

CAS Number:

100282-49-3

Molecular Formula:

C12H16ClNO2

Molecular Weight:

241.7139

MDL Number:

MFCD07127725

IUPAC Name:

tert-butyl N-(3-chloro-4-methylphenyl)carbamate

InChI:

InChI=1S/C12H16ClNO2/c1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4/h5-7H,1-4H3,(H,14,15)

InChI Key:

VPYCRWKAAFUDHE-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Nc1ccc(c(c1)Cl)C

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.715g/mol

Monoisotopic Mass:

241.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.1