Home Halogens 1-bromo-4-(2-isocyanatopropyl)benzene

1-bromo-4-(2-isocyanatopropyl)benzene

CAS No.:
1082787-37-8
Catalog Number:
AG01A3M4
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
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Product Description
Catalog Number:
AG01A3M4
Chemical Name:
1-bromo-4-(2-isocyanatopropyl)benzene
CAS Number:
1082787-37-8
Molecular Formula:
C10H10BrNO
Molecular Weight:
240.0965
MDL Number:
MFCD11612998
IUPAC Name:
1-bromo-4-(2-isocyanatopropyl)benzene
InChI:
InChI=1S/C10H10BrNO/c1-8(12-7-13)6-9-2-4-10(11)5-3-9/h2-5,8H,6H2,1H3
InChI Key:
AWXDJSIOMUEASQ-UHFFFAOYSA-N
SMILES:
CC(Cc1ccc(cc1)Br)N=C=O
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.995g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.1g/mol
Monoisotopic Mass:
238.995g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties