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86766-66-7 | methyl N-(2-bromoprop-2-enyl)carbamate
CAS No: 86766-66-7 Catalog No: AG004N7G MDL No:
Product Description
Catalog Number:
AG004N7G
Chemical Name:
methyl N-(2-bromoprop-2-enyl)carbamate
CAS Number:
86766-66-7
Molecular Formula:
C5H8BrNO2
Molecular Weight:
194.0265
IUPAC Name:
methyl N-(2-bromoprop-2-enyl)carbamate
InChI:
InChI=1S/C5H8BrNO2/c1-4(6)3-7-5(8)9-2/h1,3H2,2H3,(H,7,8)
InChI Key:
RBYHCAGZQVOTPK-UHFFFAOYSA-N
SMILES:
COC(=O)NCC(=C)Br
NSC Number:
169064
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.974g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.028g/mol
Monoisotopic Mass:
192.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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