Name: Name:CarbaMic acid, [1-[(4-chlorophenyl)Methyl]-3-butenyl]-, Methyl ester (9CI)
Brand: Angene
SKU: AG00ABJA
Rating: 90 (10 reviews)

CarbaMic acid, [1-[(4-chlorophenyl)Methyl]-3-butenyl]-, Methyl ester (9CI)

CAS No.:

18605-65-7

Catalog Number:

AG00ABJA

Molecular Formula:

C13H16ClNO2

Molecular Weight:

253.7246

Catalog Number:

AG00ABJA

Chemical Name:

CarbaMic acid, [1-[(4-chlorophenyl)Methyl]-3-butenyl]-, Methyl ester (9CI)

CAS Number:

18605-65-7

Molecular Formula:

C13H16ClNO2

Molecular Weight:

253.7246

MDL Number:

MFCD23142991

IUPAC Name:

methyl N-[1-(4-chlorophenyl)pent-4-en-2-yl]carbamate

InChI:

InChI=1S/C13H16ClNO2/c1-3-4-12(15-13(16)17-2)9-10-5-7-11(14)8-6-10/h3,5-8,12H,1,4,9H2,2H3,(H,15,16)

InChI Key:

ROJHZDWWRMXWFU-UHFFFAOYSA-N

SMILES:

COC(=O)NC(Cc1ccc(cc1)Cl)CC=C

Complexity:

250

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.087g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

253.726g/mol

Monoisotopic Mass:

253.087g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

38.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7