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116861-31-5 | Carbamic acid, N-(3-chloropropyl)-, 1,1-dimethylethyl ester
CAS No: 116861-31-5 Catalog No: AG000DCG MDL No:MFCD07781306
Product Description
Catalog Number:
AG000DCG
Chemical Name:
Carbamic acid, N-(3-chloropropyl)-, 1,1-dimethylethyl ester
CAS Number:
116861-31-5
Molecular Formula:
C8H16ClNO2
Molecular Weight:
193.6711
MDL Number:
MFCD07781306
IUPAC Name:
tert-butyl N-(3-chloropropyl)carbamate
InChI:
InChI=1S/C8H16ClNO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChI Key:
GLGLWGNZBMZWHG-UHFFFAOYSA-N
SMILES:
ClCCCNC(=O)OC(C)(C)C
Properties
Complexity:
143
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:
5
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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