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119951-96-1 | Carbamic acid, N-(3-chloro-4-fluorophenyl)-, 1,1-dimethylethyl ester
CAS No: 119951-96-1 Catalog No: AG000PW5 MDL No:
Product Description
Catalog Number:
AG000PW5
Chemical Name:
Carbamic acid, N-(3-chloro-4-fluorophenyl)-, 1,1-dimethylethyl ester
CAS Number:
119951-96-1
Molecular Formula:
C11H13ClFNO2
Molecular Weight:
245.6778
IUPAC Name:
tert-butyl N-(3-chloro-4-fluorophenyl)carbamate
InChI:
InChI=1S/C11H13ClFNO2/c1-11(2,3)16-10(15)14-7-4-5-9(13)8(12)6-7/h4-6H,1-3H3,(H,14,15)
InChI Key:
KKHMVPYUCTZPEE-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1ccc(c(c1)Cl)F
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.678g/mol
Monoisotopic Mass:
245.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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