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114326-14-6 | Carbamic acid, N-(3-chloropropyl)-N-methyl-, 1,1-dimethylethyl ester
CAS No: 114326-14-6 Catalog No: AG000B3P MDL No:MFCD09031544
Product Description
Catalog Number:
AG000B3P
Chemical Name:
Carbamic acid, N-(3-chloropropyl)-N-methyl-, 1,1-dimethylethyl ester
CAS Number:
114326-14-6
Molecular Formula:
C9H18ClNO2
Molecular Weight:
207.6977
MDL Number:
MFCD09031544
IUPAC Name:
tert-butyl N-(3-chloropropyl)-N-methylcarbamate
InChI:
InChI=1S/C9H18ClNO2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7H2,1-4H3
InChI Key:
BVGHWHRLCIXJTJ-UHFFFAOYSA-N
SMILES:
ClCCCN(C(=O)OC(C)(C)C)C
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.103g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.698g/mol
Monoisotopic Mass:
207.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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