Home Halogens Carbamic acid, (2-chloropropyl)-, 1,1-dimethylethyl ester (9CI)

Carbamic acid, (2-chloropropyl)-, 1,1-dimethylethyl ester (9CI)

CAS No.:
272791-90-9
Catalog Number:
AG00BMXS
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
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Product Description
Catalog Number:
AG00BMXS
Chemical Name:
Carbamic acid, (2-chloropropyl)-, 1,1-dimethylethyl ester (9CI)
CAS Number:
272791-90-9
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD23777279
IUPAC Name:
tert-butyl N-(2-chloropropyl)carbamate
InChI:
InChI=1S/C8H16ClNO2/c1-6(9)5-10-7(11)12-8(2,3)4/h6H,5H2,1-4H3,(H,10,11)
InChI Key:
BBAFVRDQRAEQAF-UHFFFAOYSA-N
SMILES:
CC(CNC(=O)OC(C)(C)C)Cl
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.087g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.671g/mol
Monoisotopic Mass:
193.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties