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88310-36-5 | Carbamic acid, 1-butenyl-, 4-bromophenyl ester
CAS No: 88310-36-5 Catalog No: AG0048NS MDL No:
Product Description
Catalog Number:
AG0048NS
Chemical Name:
Carbamic acid, 1-butenyl-, 4-bromophenyl ester
CAS Number:
88310-36-5
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
IUPAC Name:
(4-bromophenyl) N-but-1-enylcarbamate
InChI:
InChI=1S/C11H12BrNO2/c1-2-3-8-13-11(14)15-10-6-4-9(12)5-7-10/h3-8H,2H2,1H3,(H,13,14)
InChI Key:
YRFRPBNUXYZPKL-UHFFFAOYSA-N
SMILES:
CCC=CNC(=O)Oc1ccc(cc1)Br
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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