Home Halogens (4-bromo-1H-pyrrol-2-yl)methanamine

(4-bromo-1H-pyrrol-2-yl)methanamine

CAS No.:
1354952-66-1
Catalog Number:
AG019T8U
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
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Product Description
Catalog Number:
AG019T8U
Chemical Name:
(4-bromo-1H-pyrrol-2-yl)methanamine
CAS Number:
1354952-66-1
Molecular Formula:
C5H7BrN2
Molecular Weight:
175.0265
MDL Number:
MFCD20731250
IUPAC Name:
(4-bromo-1H-pyrrol-2-yl)methanamine
InChI:
InChI=1S/C5H7BrN2/c6-4-1-5(2-7)8-3-4/h1,3,8H,2,7H2
InChI Key:
NGPSXQJWPGUSRK-UHFFFAOYSA-N
SMILES:
NCc1cc(c[nH]1)Br
Properties
Complexity:
76.8  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.979g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.029g/mol
Monoisotopic Mass:
173.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties