Chemical ID: 4727008

c1cc(c(cc1Br)N)N
Chemical ID:
4727008
Name [?]:
4-bromobenzene-1,2-diamine
SMILES [?]:
c1cc(c(cc1Br)N)N
InChi [?]:
InChI=1/C6H7BrN2/c7-4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
InChi Info:
AuxInfo=1/0/N:1,2,5,6,3,4,7,9,8/rA:9nCCCCCCBrNN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7BrN2
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.21577
Area:286.034
Solvation:-0.935077
Coulombic:-33.5352
Bond Count [?]
All:9
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:187.037
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:1.19
LogP (Chemaxon):1.27

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Experimental Annotations

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Descriptor Annotations

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